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(c2ccc(Cl)cc2)CC1 ZINC000000004205 526413994 /nfs/dbraw/zinc/41/39/94/526413994.db2.gz MNXAVQJMUHZRML-UHFFFAOYSA-N 1 1 233.742 3.615 20 30 BHEDMO C=CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000000010229 526413622 /nfs/dbraw/zinc/41/36/22/526413622.db2.gz PHRHDPWFIUXENN-UHFFFAOYSA-N 1 1 233.742 3.615 20 30 BHEDMO CCCCCCCCCn1cc[nH+]c1C ZINC000002274821 587750886 /nfs/dbraw/zinc/75/08/86/587750886.db2.gz FKGMPZBNFPJVCH-UHFFFAOYSA-N 1 1 208.349 3.942 20 30 BHEDMO CC[N@@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000019804714 371189851 /nfs/dbraw/zinc/18/98/51/371189851.db2.gz GRXZISWTJUVFBN-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000019804722 353164100 /nfs/dbraw/zinc/16/41/00/353164100.db2.gz MOJCZCSCQIMQMD-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO CC[N@@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000019804723 353163286 /nfs/dbraw/zinc/16/32/86/353163286.db2.gz PBTYUVYYTWNGDO-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000028243389 166359730 /nfs/dbraw/zinc/35/97/30/166359730.db2.gz PSARTERNWYGCNM-SFHVURJKSA-N 1 1 249.357 3.820 20 30 BHEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000028243396 166358847 /nfs/dbraw/zinc/35/88/47/166358847.db2.gz PSARTERNWYGCNM-GOSISDBHSA-N 1 1 249.357 3.820 20 30 BHEDMO C=CCC[N@H+](CC(=C)C)Cc1ccccc1 ZINC000034597511 357920077 /nfs/dbraw/zinc/92/00/77/357920077.db2.gz VUEKBOTULDUJRI-UHFFFAOYSA-N 1 1 215.340 3.641 20 30 BHEDMO C=CC[N@H+](CC=C(C)C)Cc1ccccc1 ZINC000034623249 355906228 /nfs/dbraw/zinc/90/62/28/355906228.db2.gz AWSSEJSSMAINFX-UHFFFAOYSA-N 1 1 215.340 3.641 20 30 BHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000034722405 177116857 /nfs/dbraw/zinc/11/68/57/177116857.db2.gz IANFTYXYXIWKJT-OKILXGFUSA-N 1 1 242.366 3.516 20 30 BHEDMO C=CCCC[N@@H+](CC=C)Cc1ccccc1 ZINC000034874745 342732990 /nfs/dbraw/zinc/73/29/90/342732990.db2.gz CDBLWBFHSKJGIL-UHFFFAOYSA-N 1 1 215.340 3.641 20 30 BHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCCCCC1 ZINC000035175568 386507103 /nfs/dbraw/zinc/50/71/03/386507103.db2.gz PXVNATMSPKVCGD-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO C[N@@H+](Cc1ccccc1C#N)C1CCCCCC1 ZINC000035175662 386512055 /nfs/dbraw/zinc/51/20/55/386512055.db2.gz LJHISJPSQJYNMT-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCCCCC1 ZINC000035175664 386512344 /nfs/dbraw/zinc/51/23/44/386512344.db2.gz VLGMYSGUVYFJNU-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO CCCCC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000037240273 712556621 /nfs/dbraw/zinc/55/66/21/712556621.db2.gz MVBFWZCGXRJMGR-HNNXBMFYSA-N 1 1 230.355 3.811 20 30 BHEDMO CCCCC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000037240276 712556476 /nfs/dbraw/zinc/55/64/76/712556476.db2.gz MVBFWZCGXRJMGR-OAHLLOKOSA-N 1 1 230.355 3.811 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000038092339 358106970 /nfs/dbraw/zinc/10/69/70/358106970.db2.gz IVPFDOYVXWLSCC-GWCFXTLKSA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000038092340 358106922 /nfs/dbraw/zinc/10/69/22/358106922.db2.gz IVPFDOYVXWLSCC-GXFFZTMASA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000038092341 358107368 /nfs/dbraw/zinc/10/73/68/358107368.db2.gz IVPFDOYVXWLSCC-MFKMUULPSA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000038092342 358107441 /nfs/dbraw/zinc/10/74/41/358107441.db2.gz IVPFDOYVXWLSCC-ZWNOBZJWSA-N 1 1 236.746 3.683 20 30 BHEDMO CC1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000042211409 168159406 /nfs/dbraw/zinc/15/94/06/168159406.db2.gz BTMFREKYCOPTBJ-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO CC1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000042211412 168159505 /nfs/dbraw/zinc/15/95/05/168159505.db2.gz QCTOXKIDXOHSEH-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO CC1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000042211418 168160066 /nfs/dbraw/zinc/16/00/66/168160066.db2.gz WKESYJMIINFBCV-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO CC(C)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000042223026 384207798 /nfs/dbraw/zinc/20/77/98/384207798.db2.gz UBNPHKOCCYWJNI-UHFFFAOYSA-N 1 1 230.355 3.591 20 30 BHEDMO C[N@@H+](CCCCC#N)Cc1ccc(Cl)s1 ZINC000042223590 344447766 /nfs/dbraw/zinc/44/77/66/344447766.db2.gz IFIPDEHWQUTXQI-UHFFFAOYSA-N 1 1 242.775 3.527 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1Cl ZINC000042224773 637087385 /nfs/dbraw/zinc/08/73/85/637087385.db2.gz MYFVRWYKSKPALG-SECBINFHSA-N 1 1 230.138 3.743 20 30 BHEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CCCCC1 ZINC000042238303 388275162 /nfs/dbraw/zinc/27/51/62/388275162.db2.gz HORZJPGSGWCRGN-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C[N@H+](Cc1ccccc1C#N)CC1CCCCC1 ZINC000042238304 388275019 /nfs/dbraw/zinc/27/50/19/388275019.db2.gz AQYSCJJKWKZWFR-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CCCCC1 ZINC000042238499 388274646 /nfs/dbraw/zinc/27/46/46/388274646.db2.gz ZLOJWEAYIBCVMB-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240520 176140578 /nfs/dbraw/zinc/14/05/78/176140578.db2.gz HKVOLPLBDCFBOS-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240521 177134062 /nfs/dbraw/zinc/13/40/62/177134062.db2.gz HKVOLPLBDCFBOS-BBRMVZONSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240522 176120289 /nfs/dbraw/zinc/12/02/89/176120289.db2.gz HKVOLPLBDCFBOS-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000042240523 177120091 /nfs/dbraw/zinc/12/00/91/177120091.db2.gz HKVOLPLBDCFBOS-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000042240524 176140155 /nfs/dbraw/zinc/14/01/55/176140155.db2.gz QTWCCOHGJHPFOP-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000042240526 176121203 /nfs/dbraw/zinc/12/12/03/176121203.db2.gz QTWCCOHGJHPFOP-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000042240527 177121175 /nfs/dbraw/zinc/12/11/75/177121175.db2.gz QTWCCOHGJHPFOP-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240528 388275034 /nfs/dbraw/zinc/27/50/34/388275034.db2.gz PQTQXLPLLYWNLK-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240529 388274724 /nfs/dbraw/zinc/27/47/24/388274724.db2.gz PQTQXLPLLYWNLK-BBRMVZONSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240530 388274979 /nfs/dbraw/zinc/27/49/79/388274979.db2.gz PQTQXLPLLYWNLK-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000042240531 388274836 /nfs/dbraw/zinc/27/48/36/388274836.db2.gz PQTQXLPLLYWNLK-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO CCC(CC)C[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000042270319 388275364 /nfs/dbraw/zinc/27/53/64/388275364.db2.gz NFYZHIKJVBOJMY-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO CC[N@H+](Cc1ccc(C(C)C)cc1)C[C@@H](C)C#N ZINC000042323861 487592958 /nfs/dbraw/zinc/59/29/58/487592958.db2.gz NHJIOCSUPKUCJC-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1ccc(C(C)C)cc1)C[C@@H](C)C#N ZINC000042323861 487592953 /nfs/dbraw/zinc/59/29/53/487592953.db2.gz NHJIOCSUPKUCJC-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@H+](Cc1ccc(C(C)C)cc1)C[C@H](C)C#N ZINC000042323863 487593474 /nfs/dbraw/zinc/59/34/74/487593474.db2.gz NHJIOCSUPKUCJC-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1ccc(C(C)C)cc1)C[C@H](C)C#N ZINC000042323863 487593472 /nfs/dbraw/zinc/59/34/72/487593472.db2.gz NHJIOCSUPKUCJC-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000042337954 342996686 /nfs/dbraw/zinc/99/66/86/342996686.db2.gz HTCUSCKBHAKQPT-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1ccc(C(C)C)cc1 ZINC000042454434 387629066 /nfs/dbraw/zinc/62/90/66/387629066.db2.gz BHAXTWKPLCFELT-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO CC[N@H+](CCC#N)Cc1ccc(C(C)C)cc1 ZINC000042454434 387629062 /nfs/dbraw/zinc/62/90/62/387629062.db2.gz BHAXTWKPLCFELT-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1cccc2ccccc21 ZINC000042454523 384222833 /nfs/dbraw/zinc/22/28/33/384222833.db2.gz YCOLWXFTAMRSKF-UHFFFAOYSA-N 1 1 238.334 3.575 20 30 BHEDMO CC[N@H+](CCC#N)Cc1cccc2ccccc21 ZINC000042454523 384222825 /nfs/dbraw/zinc/22/28/25/384222825.db2.gz YCOLWXFTAMRSKF-UHFFFAOYSA-N 1 1 238.334 3.575 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000042454544 387629572 /nfs/dbraw/zinc/62/95/72/387629572.db2.gz JYADAOLDLYYXFW-UHFFFAOYSA-N 1 1 244.382 3.720 20 30 BHEDMO CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000042454544 387629567 /nfs/dbraw/zinc/62/95/67/387629567.db2.gz JYADAOLDLYYXFW-UHFFFAOYSA-N 1 1 244.382 3.720 20 30 BHEDMO CC(C)c1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000042530680 358351495 /nfs/dbraw/zinc/35/14/95/358351495.db2.gz OUAFVZHEVJIZLL-UHFFFAOYSA-N 1 1 244.382 3.934 20 30 BHEDMO CC(C)c1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000042530680 358351493 /nfs/dbraw/zinc/35/14/93/358351493.db2.gz OUAFVZHEVJIZLL-UHFFFAOYSA-N 1 1 244.382 3.934 20 30 BHEDMO CCCCC[N@@H+](CCCCC#N)C(C)C ZINC000042556956 344458394 /nfs/dbraw/zinc/45/83/94/344458394.db2.gz NWZMBAOWZGEOJL-UHFFFAOYSA-N 1 1 210.365 3.581 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042587802 641556459 /nfs/dbraw/zinc/55/64/59/641556459.db2.gz BQGXCUBOYYNTKW-ZETCQYMHSA-N 1 1 236.167 3.805 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042587805 641556425 /nfs/dbraw/zinc/55/64/25/641556425.db2.gz BQGXCUBOYYNTKW-SSDOTTSWSA-N 1 1 236.167 3.805 20 30 BHEDMO CC(C)C[N@H+](C/C=C/c1ccccc1)CCC#N ZINC000043419657 638309961 /nfs/dbraw/zinc/30/99/61/638309961.db2.gz FKLRREGHNNRGFY-UXBLZVDNSA-N 1 1 242.366 3.571 20 30 BHEDMO CC(C)C[N@@H+](C/C=C/c1ccccc1)CCC#N ZINC000043419657 638309957 /nfs/dbraw/zinc/30/99/57/638309957.db2.gz FKLRREGHNNRGFY-UXBLZVDNSA-N 1 1 242.366 3.571 20 30 BHEDMO Cc1ccc(C[N@H+](CCC#N)CC(C)C)cc1C ZINC000043419735 638311086 /nfs/dbraw/zinc/31/10/86/638311086.db2.gz DRWNBVBNLNRCOD-UHFFFAOYSA-N 1 1 244.382 3.675 20 30 BHEDMO CCCC[C@@H](CC)C[N@@H+](CC)C[C@@H](C)C#N ZINC000043455090 343001497 /nfs/dbraw/zinc/00/14/97/343001497.db2.gz IRWMTXRNDCRMOE-UONOGXRCSA-N 1 1 224.392 3.684 20 30 BHEDMO CCCC[C@H](CC)C[N@@H+](CC)C[C@@H](C)C#N ZINC000043455092 343001641 /nfs/dbraw/zinc/00/16/41/343001641.db2.gz IRWMTXRNDCRMOE-KBPBESRZSA-N 1 1 224.392 3.684 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089808 487807041 /nfs/dbraw/zinc/80/70/41/487807041.db2.gz CFBVMTDIFDQUCY-NSHDSACASA-N 1 1 215.296 3.612 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089809 410111902 /nfs/dbraw/zinc/11/19/02/410111902.db2.gz CFBVMTDIFDQUCY-LLVKDONJSA-N 1 1 215.296 3.612 20 30 BHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCCC#N ZINC000044089879 639572731 /nfs/dbraw/zinc/57/27/31/639572731.db2.gz PYBHJAHQTPXTNA-GFCCVEGCSA-N 1 1 242.322 3.729 20 30 BHEDMO CC(C)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000044898411 387950042 /nfs/dbraw/zinc/95/00/42/387950042.db2.gz RZYAYSQXPDGIJH-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007417 411143094 /nfs/dbraw/zinc/14/30/94/411143094.db2.gz MBBXYIUQDHNMII-JTQLQIEISA-N 1 1 209.720 3.519 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007420 411143024 /nfs/dbraw/zinc/14/30/24/411143024.db2.gz MBBXYIUQDHNMII-SNVBAGLBSA-N 1 1 209.720 3.519 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007534 411143055 /nfs/dbraw/zinc/14/30/55/411143055.db2.gz CDZHHHIMSZYNQY-NSHDSACASA-N 1 1 223.747 3.909 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045007537 411143018 /nfs/dbraw/zinc/14/30/18/411143018.db2.gz CDZHHHIMSZYNQY-LLVKDONJSA-N 1 1 223.747 3.909 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045007794 411143013 /nfs/dbraw/zinc/14/30/13/411143013.db2.gz XTLJTQDLMDJWQD-CYBMUJFWSA-N 1 1 221.731 3.663 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045007796 411143058 /nfs/dbraw/zinc/14/30/58/411143058.db2.gz XTLJTQDLMDJWQD-ZDUSSCGKSA-N 1 1 221.731 3.663 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045044721 384371732 /nfs/dbraw/zinc/37/17/32/384371732.db2.gz YVXWBOPAMXISBB-HNNXBMFYSA-N 1 1 230.355 3.592 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045044723 384370952 /nfs/dbraw/zinc/37/09/52/384370952.db2.gz YVXWBOPAMXISBB-OAHLLOKOSA-N 1 1 230.355 3.592 20 30 BHEDMO CC(C)CC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000045751711 387722038 /nfs/dbraw/zinc/72/20/38/387722038.db2.gz VVONHCYCNADOEU-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO CC(C)CC[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000045751757 387722250 /nfs/dbraw/zinc/72/22/50/387722250.db2.gz MYZFDUPYTCEEFL-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC#N ZINC000045915464 176014253 /nfs/dbraw/zinc/01/42/53/176014253.db2.gz WAHBOACAHUFPIM-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC#N ZINC000045915466 177033149 /nfs/dbraw/zinc/03/31/49/177033149.db2.gz WAHBOACAHUFPIM-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO CCc1ccc(C[N@@H+](CCCC#N)C2CC2)cc1 ZINC000045944358 368434148 /nfs/dbraw/zinc/43/41/48/368434148.db2.gz WQHICKWCPKGHAW-UHFFFAOYSA-N 1 1 242.366 3.517 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089343 343539510 /nfs/dbraw/zinc/53/95/10/343539510.db2.gz VNJSZCIJPYRLHX-LLVKDONJSA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089343 343539508 /nfs/dbraw/zinc/53/95/08/343539508.db2.gz VNJSZCIJPYRLHX-LLVKDONJSA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046089344 368436672 /nfs/dbraw/zinc/43/66/72/368436672.db2.gz VNJSZCIJPYRLHX-NSHDSACASA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089344 368436668 /nfs/dbraw/zinc/43/66/68/368436668.db2.gz VNJSZCIJPYRLHX-NSHDSACASA-N 1 1 227.760 3.638 20 30 BHEDMO C=CC[N@H+](C)Cc1csc2ccccc12 ZINC000046089600 368436135 /nfs/dbraw/zinc/43/61/35/368436135.db2.gz QAOYLCYBGFZYJT-UHFFFAOYSA-N 1 1 217.337 3.519 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1csc2ccccc12 ZINC000046089610 359753222 /nfs/dbraw/zinc/75/32/22/359753222.db2.gz MGRXDIMDCPMMLJ-UHFFFAOYSA-N 1 1 231.364 3.909 20 30 BHEDMO CCC[N@@H+](CC=C(C)C)Cc1ccc(C#N)cc1 ZINC000047740251 343565465 /nfs/dbraw/zinc/56/54/65/343565465.db2.gz QKLPENDBXBGINM-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO CCCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000047833885 356265684 /nfs/dbraw/zinc/26/56/84/356265684.db2.gz MSNSERSUMLBAAW-UHFFFAOYSA-N 1 1 244.382 3.959 20 30 BHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000047878697 358605031 /nfs/dbraw/zinc/60/50/31/358605031.db2.gz XYXMMIXZFBPHIQ-UHFFFAOYSA-N 1 1 248.345 3.564 20 30 BHEDMO CCCCC[N@@H+](Cc1cccc(C#N)c1)C(C)C ZINC000047958709 342692173 /nfs/dbraw/zinc/69/21/73/342692173.db2.gz BQRVTOOXJLHRGX-UHFFFAOYSA-N 1 1 244.382 3.959 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047959638 350784156 /nfs/dbraw/zinc/78/41/56/350784156.db2.gz BKPQSPKALBRREN-CYBMUJFWSA-N 1 1 203.329 3.564 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047959639 350784102 /nfs/dbraw/zinc/78/41/02/350784102.db2.gz BKPQSPKALBRREN-ZDUSSCGKSA-N 1 1 203.329 3.564 20 30 BHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000047979720 343014774 /nfs/dbraw/zinc/01/47/74/343014774.db2.gz QSRLSCPSHCLHOG-CYBMUJFWSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000047979720 343014773 /nfs/dbraw/zinc/01/47/73/343014773.db2.gz QSRLSCPSHCLHOG-CYBMUJFWSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000047979722 175595220 /nfs/dbraw/zinc/59/52/20/175595220.db2.gz QSRLSCPSHCLHOG-ZDUSSCGKSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000047979722 175595218 /nfs/dbraw/zinc/59/52/18/175595218.db2.gz QSRLSCPSHCLHOG-ZDUSSCGKSA-N 1 1 244.382 3.576 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000048043251 411172008 /nfs/dbraw/zinc/17/20/08/411172008.db2.gz KXZJKFBUIYZOQX-DOMZBBRYSA-N 1 1 245.366 3.944 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043253 411172516 /nfs/dbraw/zinc/17/25/16/411172516.db2.gz KXZJKFBUIYZOQX-WFASDCNBSA-N 1 1 245.366 3.944 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043255 411172384 /nfs/dbraw/zinc/17/23/84/411172384.db2.gz KXZJKFBUIYZOQX-IUODEOHRSA-N 1 1 245.366 3.944 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043258 411172408 /nfs/dbraw/zinc/17/24/08/411172408.db2.gz KXZJKFBUIYZOQX-SWLSCSKDSA-N 1 1 245.366 3.944 20 30 BHEDMO C=CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000048043334 343704888 /nfs/dbraw/zinc/70/48/88/343704888.db2.gz ZSMJSSCGAJYACW-BXUZGUMPSA-N 1 1 231.339 3.553 20 30 BHEDMO C=CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043336 343705115 /nfs/dbraw/zinc/70/51/15/343705115.db2.gz ZSMJSSCGAJYACW-SMDDNHRTSA-N 1 1 231.339 3.553 20 30 BHEDMO CCCCC[N@@H+](Cc1ccccc1C#N)C(C)C ZINC000048231342 342933458 /nfs/dbraw/zinc/93/34/58/342933458.db2.gz GLCGGMHVWZLUPA-UHFFFAOYSA-N 1 1 244.382 3.959 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049525552 384544107 /nfs/dbraw/zinc/54/41/07/384544107.db2.gz RTARJKILVWUDEP-GWCFXTLKSA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049525553 384543710 /nfs/dbraw/zinc/54/37/10/384543710.db2.gz RTARJKILVWUDEP-GXFFZTMASA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049525554 384543554 /nfs/dbraw/zinc/54/35/54/384543554.db2.gz RTARJKILVWUDEP-MFKMUULPSA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049525555 384544179 /nfs/dbraw/zinc/54/41/79/384544179.db2.gz RTARJKILVWUDEP-ZWNOBZJWSA-N 1 1 236.746 3.683 20 30 BHEDMO CCC1CCC([N@@H+](C)CCCCC#N)CC1 ZINC000049579457 348814757 /nfs/dbraw/zinc/81/47/57/348814757.db2.gz NABKGGVORRFTGP-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)[N@@H+](CCCCC#N)Cc1cccs1 ZINC000049579463 398051676 /nfs/dbraw/zinc/05/16/76/398051676.db2.gz ZODMZEFFNDJLMC-UHFFFAOYSA-N 1 1 236.384 3.652 20 30 BHEDMO Cc1ccc(C)c(C[N@H+](CCC#N)CC(C)C)c1 ZINC000049800812 643442661 /nfs/dbraw/zinc/44/26/61/643442661.db2.gz UXBOUZDEZXJZFZ-UHFFFAOYSA-N 1 1 244.382 3.675 20 30 BHEDMO Cc1cc(C)cc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000049800846 643444382 /nfs/dbraw/zinc/44/43/82/643444382.db2.gz IITXVVUDSQSZIP-UHFFFAOYSA-N 1 1 244.382 3.675 20 30 BHEDMO CC[N@H+](Cc1c(C)cc(C)cc1C)C[C@@H](C)C#N ZINC000049899154 384686321 /nfs/dbraw/zinc/68/63/21/384686321.db2.gz CKYNSUZDPPALEM-ZDUSSCGKSA-N 1 1 244.382 3.593 20 30 BHEDMO CC[N@H+](Cc1c(C)cc(C)cc1C)C[C@H](C)C#N ZINC000049899155 384685370 /nfs/dbraw/zinc/68/53/70/384685370.db2.gz CKYNSUZDPPALEM-CYBMUJFWSA-N 1 1 244.382 3.593 20 30 BHEDMO CCc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000049961523 387804066 /nfs/dbraw/zinc/80/40/66/387804066.db2.gz YDYJAUZOIILFMP-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000049968021 352649436 /nfs/dbraw/zinc/64/94/36/352649436.db2.gz PSJSJVMZDZUYCF-UHFFFAOYSA-N 1 1 241.334 3.858 20 30 BHEDMO C=CC[N@H+](CC=C(C)C)Cc1cccs1 ZINC000050274356 350318276 /nfs/dbraw/zinc/31/82/76/350318276.db2.gz ULGDLERIJCWRBV-UHFFFAOYSA-N 1 1 221.369 3.702 20 30 BHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000051423092 358752469 /nfs/dbraw/zinc/75/24/69/358752469.db2.gz ZAWLNBDLOGDNMF-AWEZNQCLSA-N 1 1 248.757 3.781 20 30 BHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000051423093 358752726 /nfs/dbraw/zinc/75/27/26/358752726.db2.gz ZAWLNBDLOGDNMF-CQSZACIVSA-N 1 1 248.757 3.781 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1csc(C(C)C)n1 ZINC000051559847 358755234 /nfs/dbraw/zinc/75/52/34/358755234.db2.gz VXRCGZDDIBRKIT-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=C(C)C[N@@H+](CC)Cc1csc(C(C)C)n1 ZINC000051559847 358755232 /nfs/dbraw/zinc/75/52/32/358755232.db2.gz VXRCGZDDIBRKIT-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C[N@@H+](CCCC#N)Cc1cccc2ccccc21 ZINC000051993076 134385251 /nfs/dbraw/zinc/38/52/51/134385251.db2.gz QKNFEMJCLDRLMR-UHFFFAOYSA-N 1 1 238.334 3.575 20 30 BHEDMO C=C(C)C[N@@H+](C)CCCCc1ccccc1 ZINC000052037379 350891083 /nfs/dbraw/zinc/89/10/83/350891083.db2.gz JBAZFRNSMYWSPW-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052047825 355759683 /nfs/dbraw/zinc/75/96/83/355759683.db2.gz ZBMMOZKBHHEWIL-UHFFFAOYSA-N 1 1 243.272 3.713 20 30 BHEDMO C=CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070686 350905738 /nfs/dbraw/zinc/90/57/38/350905738.db2.gz ZRENJPPZBQIOCA-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052074969 350906454 /nfs/dbraw/zinc/90/64/54/350906454.db2.gz NTMCNUPRJBMFNP-JTQLQIEISA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000052074970 350906695 /nfs/dbraw/zinc/90/66/95/350906695.db2.gz NTMCNUPRJBMFNP-SNVBAGLBSA-N 1 1 225.282 3.534 20 30 BHEDMO N#CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075834 350931923 /nfs/dbraw/zinc/93/19/23/350931923.db2.gz LBIQUJIOACJDSL-UHFFFAOYSA-N 1 1 248.757 3.608 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076247 350905956 /nfs/dbraw/zinc/90/59/56/350905956.db2.gz NGJUNPOAXUSLPI-UHFFFAOYSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076247 350905954 /nfs/dbraw/zinc/90/59/54/350905954.db2.gz NGJUNPOAXUSLPI-UHFFFAOYSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052076982 350908127 /nfs/dbraw/zinc/90/81/27/350908127.db2.gz MQYUNEQYVNTBCS-UHFFFAOYSA-N 1 1 219.328 3.600 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077647 350933504 /nfs/dbraw/zinc/93/35/04/350933504.db2.gz OXAGWHGXJISDPO-CYBMUJFWSA-N 1 1 221.731 3.663 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077648 350933529 /nfs/dbraw/zinc/93/35/29/350933529.db2.gz OXAGWHGXJISDPO-ZDUSSCGKSA-N 1 1 221.731 3.663 20 30 BHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077809 181036041 /nfs/dbraw/zinc/03/60/41/181036041.db2.gz KMGOFUGVEIXECH-AWEZNQCLSA-N 1 1 248.757 3.781 20 30 BHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077810 181036152 /nfs/dbraw/zinc/03/61/52/181036152.db2.gz KMGOFUGVEIXECH-CQSZACIVSA-N 1 1 248.757 3.781 20 30 BHEDMO CCC1CCC([N@@H+](CCCC#N)C2CC2)CC1 ZINC000052103672 350937323 /nfs/dbraw/zinc/93/73/23/350937323.db2.gz ZYRNINCZKPOSGZ-UHFFFAOYSA-N 1 1 234.387 3.723 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162184 350936376 /nfs/dbraw/zinc/93/63/76/350936376.db2.gz RYAOHJMBLJPNEN-NSHDSACASA-N 1 1 223.747 3.909 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162185 355761298 /nfs/dbraw/zinc/76/12/98/355761298.db2.gz RYAOHJMBLJPNEN-LLVKDONJSA-N 1 1 223.747 3.909 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162217 343632763 /nfs/dbraw/zinc/63/27/63/343632763.db2.gz CSPVLAJDFSMZMZ-JTQLQIEISA-N 1 1 209.720 3.519 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162218 350958366 /nfs/dbraw/zinc/95/83/66/350958366.db2.gz CSPVLAJDFSMZMZ-SNVBAGLBSA-N 1 1 209.720 3.519 20 30 BHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCC#N ZINC000052162378 134385083 /nfs/dbraw/zinc/38/50/83/134385083.db2.gz MYHQLGNZRWEMDP-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCC#N ZINC000052162379 134385162 /nfs/dbraw/zinc/38/51/62/134385162.db2.gz MYHQLGNZRWEMDP-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162766 350940117 /nfs/dbraw/zinc/94/01/17/350940117.db2.gz VUGSTHBOMGPSIT-NSHDSACASA-N 1 1 223.747 3.909 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162767 350940569 /nfs/dbraw/zinc/94/05/69/350940569.db2.gz VUGSTHBOMGPSIT-LLVKDONJSA-N 1 1 223.747 3.909 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162855 343632749 /nfs/dbraw/zinc/63/27/49/343632749.db2.gz NBIYUAVZNIBIRI-JTQLQIEISA-N 1 1 209.720 3.519 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162856 350958410 /nfs/dbraw/zinc/95/84/10/350958410.db2.gz NBIYUAVZNIBIRI-SNVBAGLBSA-N 1 1 209.720 3.519 20 30 BHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCC#N ZINC000052163034 176023712 /nfs/dbraw/zinc/02/37/12/176023712.db2.gz ACOUSPNLHMQIMV-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCCC#N ZINC000052163035 177041341 /nfs/dbraw/zinc/04/13/41/177041341.db2.gz ACOUSPNLHMQIMV-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210570 343632832 /nfs/dbraw/zinc/63/28/32/343632832.db2.gz CLIDOTUSTIZCMF-CYBMUJFWSA-N 1 1 221.731 3.663 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052210574 350968091 /nfs/dbraw/zinc/96/80/91/350968091.db2.gz CLIDOTUSTIZCMF-ZDUSSCGKSA-N 1 1 221.731 3.663 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000052212233 350967810 /nfs/dbraw/zinc/96/78/10/350967810.db2.gz BZEMORMJARZQIJ-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212234 350967740 /nfs/dbraw/zinc/96/77/40/350967740.db2.gz BZEMORMJARZQIJ-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO C=C(Br)C[N@H+](C)C1CCCCCC1 ZINC000052440052 632408594 /nfs/dbraw/zinc/40/85/94/632408594.db2.gz ROWJIIIXANOTBI-UHFFFAOYSA-N 1 1 246.192 3.550 20 30 BHEDMO C=C(Br)C[N@H+](CC)C1CCCCC1 ZINC000052441388 632410567 /nfs/dbraw/zinc/41/05/67/632410567.db2.gz KCBFYEQUHVMPGP-UHFFFAOYSA-N 1 1 246.192 3.550 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455141 351002590 /nfs/dbraw/zinc/00/25/90/351002590.db2.gz BHPJCFNOJJRQLC-CQSZACIVSA-N 1 1 219.303 3.539 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455142 351002670 /nfs/dbraw/zinc/00/26/70/351002670.db2.gz BHPJCFNOJJRQLC-AWEZNQCLSA-N 1 1 219.303 3.539 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCc1ccccc1 ZINC000052890396 487943754 /nfs/dbraw/zinc/94/37/54/487943754.db2.gz JJRYDXTTXKBPHO-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000052890536 355808445 /nfs/dbraw/zinc/80/84/45/355808445.db2.gz BWUSNGPOGZBBQQ-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000052890538 355808212 /nfs/dbraw/zinc/80/82/12/355808212.db2.gz BWUSNGPOGZBBQQ-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000052921006 343118015 /nfs/dbraw/zinc/11/80/15/343118015.db2.gz GKGNECIGAIBKDU-UHFFFAOYSA-N 1 1 247.363 3.919 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000052921006 343118014 /nfs/dbraw/zinc/11/80/14/343118014.db2.gz GKGNECIGAIBKDU-UHFFFAOYSA-N 1 1 247.363 3.919 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052921250 488022775 /nfs/dbraw/zinc/02/27/75/488022775.db2.gz RKAUWLFEAUDQOA-UHFFFAOYSA-N 1 1 243.272 3.713 20 30 BHEDMO CC(C)c1ccc(C[N@@H+](C)CCCC#N)cc1 ZINC000052922698 134386059 /nfs/dbraw/zinc/38/60/59/134386059.db2.gz OBASEOVKSBAYLR-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO C[C@@H](C1CC1)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000052928093 351079515 /nfs/dbraw/zinc/07/95/15/351079515.db2.gz XOYKVYGLHCMWDL-AWEZNQCLSA-N 1 1 242.366 3.591 20 30 BHEDMO C[C@H](C1CC1)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000052928096 351079301 /nfs/dbraw/zinc/07/93/01/351079301.db2.gz XOYKVYGLHCMWDL-CQSZACIVSA-N 1 1 242.366 3.591 20 30 BHEDMO CC[N@@H+](CCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088400 358808052 /nfs/dbraw/zinc/80/80/52/358808052.db2.gz JSPDYQIGUARWKA-LBPRGKRZSA-N 1 1 234.318 3.512 20 30 BHEDMO CC[N@@H+](CCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000053088401 358807630 /nfs/dbraw/zinc/80/76/30/358807630.db2.gz JSPDYQIGUARWKA-GFCCVEGCSA-N 1 1 234.318 3.512 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053096114 353814816 /nfs/dbraw/zinc/81/48/16/353814816.db2.gz OWWUGCGKUUDDNV-SNVBAGLBSA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053096114 353814813 /nfs/dbraw/zinc/81/48/13/353814813.db2.gz OWWUGCGKUUDDNV-SNVBAGLBSA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053096117 353815198 /nfs/dbraw/zinc/81/51/98/353815198.db2.gz OWWUGCGKUUDDNV-JTQLQIEISA-N 1 1 227.760 3.638 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053096117 353815196 /nfs/dbraw/zinc/81/51/96/353815196.db2.gz OWWUGCGKUUDDNV-JTQLQIEISA-N 1 1 227.760 3.638 20 30 BHEDMO CCCCC[N@@H+](CCC#N)Cc1ccc(F)cc1 ZINC000053135218 358813036 /nfs/dbraw/zinc/81/30/36/358813036.db2.gz OOBKYECZXRYYBR-UHFFFAOYSA-N 1 1 248.345 3.732 20 30 BHEDMO CCCCC[N@H+](CCC#N)Cc1ccc(F)cc1 ZINC000053135218 358813033 /nfs/dbraw/zinc/81/30/33/358813033.db2.gz OOBKYECZXRYYBR-UHFFFAOYSA-N 1 1 248.345 3.732 20 30 BHEDMO C=C(C)C[N@H+]1CCc2sccc2[C@H]1CC ZINC000053139828 353247493 /nfs/dbraw/zinc/24/74/93/353247493.db2.gz FDNLLFXBPGJXJQ-GFCCVEGCSA-N 1 1 221.369 3.633 20 30 BHEDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CCC#N ZINC000053643181 323160453 /nfs/dbraw/zinc/16/04/53/323160453.db2.gz XXPZKIBBKPWQBO-ZDUSSCGKSA-N 1 1 238.334 3.746 20 30 BHEDMO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCC#N ZINC000053643181 323160452 /nfs/dbraw/zinc/16/04/52/323160452.db2.gz XXPZKIBBKPWQBO-ZDUSSCGKSA-N 1 1 238.334 3.746 20 30 BHEDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CCC#N ZINC000053643183 323160494 /nfs/dbraw/zinc/16/04/94/323160494.db2.gz XXPZKIBBKPWQBO-CYBMUJFWSA-N 1 1 238.334 3.746 20 30 BHEDMO C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCC#N ZINC000053643183 323160493 /nfs/dbraw/zinc/16/04/93/323160493.db2.gz XXPZKIBBKPWQBO-CYBMUJFWSA-N 1 1 238.334 3.746 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000054182154 636048419 /nfs/dbraw/zinc/04/84/19/636048419.db2.gz LVHTWDMRLJKNEA-HNNXBMFYSA-N 1 1 244.382 3.766 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000054182155 636048926 /nfs/dbraw/zinc/04/89/26/636048926.db2.gz LVHTWDMRLJKNEA-OAHLLOKOSA-N 1 1 244.382 3.766 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2ccccc2c1 ZINC000054182158 170811604 /nfs/dbraw/zinc/81/16/04/170811604.db2.gz SJOOBWPSUIKIPF-INIZCTEOSA-N 1 1 238.334 3.622 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2ccccc2c1 ZINC000054182159 398064608 /nfs/dbraw/zinc/06/46/08/398064608.db2.gz SJOOBWPSUIKIPF-MRXNPFEDSA-N 1 1 238.334 3.622 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000054182592 535725892 /nfs/dbraw/zinc/72/58/92/535725892.db2.gz WTTQCYZLKFGNLS-AAEUAGOBSA-N 1 1 242.322 3.776 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000054182595 134387304 /nfs/dbraw/zinc/38/73/04/134387304.db2.gz WTTQCYZLKFGNLS-WCQYABFASA-N 1 1 242.322 3.776 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000054182596 535727846 /nfs/dbraw/zinc/72/78/46/535727846.db2.gz WTTQCYZLKFGNLS-YPMHNXCESA-N 1 1 242.322 3.776 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000054182599 134387734 /nfs/dbraw/zinc/38/77/34/134387734.db2.gz WTTQCYZLKFGNLS-DGCLKSJQSA-N 1 1 242.322 3.776 20 30 BHEDMO N#CCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000054338633 323204125 /nfs/dbraw/zinc/20/41/25/323204125.db2.gz WEILWEOBAGVDMW-UHFFFAOYSA-N 1 1 242.366 3.735 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000054340012 323204076 /nfs/dbraw/zinc/20/40/76/323204076.db2.gz MKYIWCCBVPKNON-ZDUSSCGKSA-N 1 1 233.355 3.654 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000054340014 323204128 /nfs/dbraw/zinc/20/41/28/323204128.db2.gz MKYIWCCBVPKNON-CYBMUJFWSA-N 1 1 233.355 3.654 20 30 BHEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340300 636427670 /nfs/dbraw/zinc/42/76/70/636427670.db2.gz BHSFVPCRRPNTTQ-LBPRGKRZSA-N 1 1 248.757 3.694 20 30 BHEDMO C=C(Cl)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340300 636427666 /nfs/dbraw/zinc/42/76/66/636427666.db2.gz BHSFVPCRRPNTTQ-LBPRGKRZSA-N 1 1 248.757 3.694 20 30 BHEDMO C=C(Cl)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340302 636428047 /nfs/dbraw/zinc/42/80/47/636428047.db2.gz BHSFVPCRRPNTTQ-GFCCVEGCSA-N 1 1 248.757 3.694 20 30 BHEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340302 636428044 /nfs/dbraw/zinc/42/80/44/636428044.db2.gz BHSFVPCRRPNTTQ-GFCCVEGCSA-N 1 1 248.757 3.694 20 30 BHEDMO CC[N@@H+](C/C=C/Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340517 411509129 /nfs/dbraw/zinc/50/91/29/411509129.db2.gz RUPVBMXCGHHROJ-KFRNIWOLSA-N 1 1 248.757 3.694 20 30 BHEDMO CC[N@@H+](C/C=C/Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000054340519 411509589 /nfs/dbraw/zinc/50/95/89/411509589.db2.gz RUPVBMXCGHHROJ-OXFRDRNISA-N 1 1 248.757 3.694 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1csc2ccccc12 ZINC000054463782 535726648 /nfs/dbraw/zinc/72/66/48/535726648.db2.gz QNILUDMSLSUGOX-LBPRGKRZSA-N 1 1 244.363 3.683 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1csc2ccccc12 ZINC000054463784 536057729 /nfs/dbraw/zinc/05/77/29/536057729.db2.gz QNILUDMSLSUGOX-GFCCVEGCSA-N 1 1 244.363 3.683 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cccc2cccnc21 ZINC000055104958 359811759 /nfs/dbraw/zinc/81/17/59/359811759.db2.gz GFBQQHJQFIGZCN-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000055386458 176079328 /nfs/dbraw/zinc/07/93/28/176079328.db2.gz BYRQBPZWWONLPS-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000055386462 384739607 /nfs/dbraw/zinc/73/96/07/384739607.db2.gz BYRQBPZWWONLPS-BBRMVZONSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000055386466 176086946 /nfs/dbraw/zinc/08/69/46/176086946.db2.gz BYRQBPZWWONLPS-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000055386469 177086727 /nfs/dbraw/zinc/08/67/27/177086727.db2.gz BYRQBPZWWONLPS-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1C#N ZINC000055386561 176079436 /nfs/dbraw/zinc/07/94/36/176079436.db2.gz CAEUMDWDJWYMQV-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1C#N ZINC000055386569 176086948 /nfs/dbraw/zinc/08/69/48/176086948.db2.gz CAEUMDWDJWYMQV-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1C#N ZINC000055386571 177087065 /nfs/dbraw/zinc/08/70/65/177087065.db2.gz CAEUMDWDJWYMQV-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000055386620 176079131 /nfs/dbraw/zinc/07/91/31/176079131.db2.gz ZLALQEINLGODHN-CJNGLKHVSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000055386623 177080496 /nfs/dbraw/zinc/08/04/96/177080496.db2.gz ZLALQEINLGODHN-BBRMVZONSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000055386627 176086338 /nfs/dbraw/zinc/08/63/38/176086338.db2.gz ZLALQEINLGODHN-CZUORRHYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000055386633 177086754 /nfs/dbraw/zinc/08/67/54/177086754.db2.gz ZLALQEINLGODHN-XJKSGUPXSA-N 1 1 242.366 3.569 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481935 388599052 /nfs/dbraw/zinc/59/90/52/388599052.db2.gz NKRIXTZSDLOVMK-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000055481937 388598455 /nfs/dbraw/zinc/59/84/55/388598455.db2.gz NKRIXTZSDLOVMK-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481938 388598588 /nfs/dbraw/zinc/59/85/88/388598588.db2.gz YXWSRCOVYJCFLI-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000055481943 388578033 /nfs/dbraw/zinc/57/80/33/388578033.db2.gz YXWSRCOVYJCFLI-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506465 411399462 /nfs/dbraw/zinc/39/94/62/411399462.db2.gz SDFWAWFHJJYPER-CQSZACIVSA-N 1 1 219.303 3.539 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506468 411399796 /nfs/dbraw/zinc/39/97/96/411399796.db2.gz SDFWAWFHJJYPER-AWEZNQCLSA-N 1 1 219.303 3.539 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000056305150 369356637 /nfs/dbraw/zinc/35/66/37/369356637.db2.gz CZLPVUZZVUWGOL-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000056305153 369356648 /nfs/dbraw/zinc/35/66/48/369356648.db2.gz CZLPVUZZVUWGOL-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000057598674 134391035 /nfs/dbraw/zinc/39/10/35/134391035.db2.gz RGVPZQYPZQLCOF-LBPRGKRZSA-N 1 1 234.368 3.579 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057598676 134391048 /nfs/dbraw/zinc/39/10/48/134391048.db2.gz RGVPZQYPZQLCOF-GFCCVEGCSA-N 1 1 234.368 3.579 20 30 BHEDMO C=CC[N@H+](CCCC)Cc1cccs1 ZINC000057621008 488061356 /nfs/dbraw/zinc/06/13/56/488061356.db2.gz RTZIYWSIZCOJLG-UHFFFAOYSA-N 1 1 209.358 3.536 20 30 BHEDMO C=CC[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621525 487579303 /nfs/dbraw/zinc/57/93/03/487579303.db2.gz ZDNHXPZJRWXRBQ-UHFFFAOYSA-N 1 1 229.367 3.960 20 30 BHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCCC#N ZINC000057626281 368497987 /nfs/dbraw/zinc/49/79/87/368497987.db2.gz MWTVLODBDIELJY-CYBMUJFWSA-N 1 1 248.395 3.751 20 30 BHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCCC#N ZINC000057626285 368498328 /nfs/dbraw/zinc/49/83/28/368498328.db2.gz MWTVLODBDIELJY-ZDUSSCGKSA-N 1 1 248.395 3.751 20 30 BHEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000057626531 487584500 /nfs/dbraw/zinc/58/45/00/487584500.db2.gz UHPQQVQXZCNDOG-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000057626533 487583219 /nfs/dbraw/zinc/58/32/19/487583219.db2.gz UHPQQVQXZCNDOG-MRXNPFEDSA-N 1 1 245.366 3.798 20 30 BHEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000057661431 350131076 /nfs/dbraw/zinc/13/10/76/350131076.db2.gz CJIMNOUCGDPBPO-MRXNPFEDSA-N 1 1 242.366 3.517 20 30 BHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000057661433 385939432 /nfs/dbraw/zinc/93/94/32/385939432.db2.gz CJIMNOUCGDPBPO-INIZCTEOSA-N 1 1 242.366 3.517 20 30 BHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000057661492 385938486 /nfs/dbraw/zinc/93/84/86/385938486.db2.gz VSPRESRQBWNMRL-UHFFFAOYSA-N 1 1 242.366 3.517 20 30 BHEDMO 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BHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1csc2ccccc12 ZINC000064932014 385292893 /nfs/dbraw/zinc/29/28/93/385292893.db2.gz BTCJMOIHLJFSSU-NSHDSACASA-N 1 1 244.363 3.635 20 30 BHEDMO C[C@@H](CC#N)[N@H+](C)Cc1csc2ccccc12 ZINC000064932014 385292889 /nfs/dbraw/zinc/29/28/89/385292889.db2.gz BTCJMOIHLJFSSU-NSHDSACASA-N 1 1 244.363 3.635 20 30 BHEDMO N#CCCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000065161341 368619661 /nfs/dbraw/zinc/61/96/61/368619661.db2.gz IUCXWBFGMMBZAW-UHFFFAOYSA-N 1 1 242.366 3.592 20 30 BHEDMO Cc1ccc(C[N@H+](CCCC#N)C(C)C)s1 ZINC000065161995 368618075 /nfs/dbraw/zinc/61/80/75/368618075.db2.gz JFNNLUYQGZKOAR-UHFFFAOYSA-N 1 1 236.384 3.571 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCOc1ccccc1C ZINC000065222925 363936460 /nfs/dbraw/zinc/93/64/60/363936460.db2.gz HKMIRTSJZFHDTA-UHFFFAOYSA-N 1 1 247.382 3.662 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000065261067 349854473 /nfs/dbraw/zinc/85/44/73/349854473.db2.gz NAJDKGPUBIAWBA-QGZVFWFLSA-N 1 1 243.394 3.826 20 30 BHEDMO 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CC[C@H](C)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000066864790 353818861 /nfs/dbraw/zinc/81/88/61/353818861.db2.gz YQVLIMQGGZCWEH-AWEZNQCLSA-N 1 1 230.355 3.591 20 30 BHEDMO N#CCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898349 387091334 /nfs/dbraw/zinc/09/13/34/387091334.db2.gz XFHNMBYWCRGEOH-MRXNPFEDSA-N 1 1 242.366 3.560 20 30 BHEDMO N#CCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898352 387091425 /nfs/dbraw/zinc/09/14/25/387091425.db2.gz XFHNMBYWCRGEOH-INIZCTEOSA-N 1 1 242.366 3.560 20 30 BHEDMO CCCCC[N@@H+](CCC#N)[C@H](C)CCC ZINC000067984044 383966179 /nfs/dbraw/zinc/96/61/79/383966179.db2.gz BBBZKYZAGWKCKW-CYBMUJFWSA-N 1 1 210.365 3.581 20 30 BHEDMO Cc1ccc([C@H]2CCC[N@H+]2CCCC#N)cc1C ZINC000067984939 387097032 /nfs/dbraw/zinc/09/70/32/387097032.db2.gz HUCXWCBICDXGCF-MRXNPFEDSA-N 1 1 242.366 3.744 20 30 BHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000068448835 388712309 /nfs/dbraw/zinc/71/23/09/388712309.db2.gz WTAKDVJKQHQXKT-UHFFFAOYSA-N 1 1 242.366 3.711 20 30 BHEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000068449044 384893471 /nfs/dbraw/zinc/89/34/71/384893471.db2.gz NLMXWPKHRWOZSX-UHFFFAOYSA-N 1 1 242.366 3.711 20 30 BHEDMO CC(C)[N@@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000068449172 384891260 /nfs/dbraw/zinc/89/12/60/384891260.db2.gz QMZJYGFNBSNVOY-UHFFFAOYSA-N 1 1 242.366 3.711 20 30 BHEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000068607673 134398257 /nfs/dbraw/zinc/39/82/57/134398257.db2.gz UBQLWSSVHGSNHF-STQMWFEESA-N 1 1 238.334 3.793 20 30 BHEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000068607678 134398323 /nfs/dbraw/zinc/39/83/23/134398323.db2.gz UBQLWSSVHGSNHF-OLZOCXBDSA-N 1 1 238.334 3.793 20 30 BHEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc2ccccc2c1 ZINC000068607682 134399097 /nfs/dbraw/zinc/39/90/97/134399097.db2.gz UBQLWSSVHGSNHF-QWHCGFSZSA-N 1 1 238.334 3.793 20 30 BHEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000068607685 134398350 /nfs/dbraw/zinc/39/83/50/134398350.db2.gz UBQLWSSVHGSNHF-CHWSQXEVSA-N 1 1 238.334 3.793 20 30 BHEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000068609701 370819615 /nfs/dbraw/zinc/81/96/15/370819615.db2.gz LHSJXJUPSIANTM-STQMWFEESA-N 1 1 244.382 3.937 20 30 BHEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000068609707 370819167 /nfs/dbraw/zinc/81/91/67/370819167.db2.gz LHSJXJUPSIANTM-OLZOCXBDSA-N 1 1 244.382 3.937 20 30 BHEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(C(C)(C)C)cc1 ZINC000068609712 344483307 /nfs/dbraw/zinc/48/33/07/344483307.db2.gz LHSJXJUPSIANTM-QWHCGFSZSA-N 1 1 244.382 3.937 20 30 BHEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000068609717 344483325 /nfs/dbraw/zinc/48/33/25/344483325.db2.gz LHSJXJUPSIANTM-CHWSQXEVSA-N 1 1 244.382 3.937 20 30 BHEDMO C=CC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000069003721 387111121 /nfs/dbraw/zinc/11/11/21/387111121.db2.gz SSMHFPQALAIRCK-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO C=CC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000069003721 387111115 /nfs/dbraw/zinc/11/11/15/387111115.db2.gz SSMHFPQALAIRCK-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO N#CCCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000069078921 370880782 /nfs/dbraw/zinc/88/07/82/370880782.db2.gz PEIPCQHZCDLSFC-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000069608237 370961289 /nfs/dbraw/zinc/96/12/89/370961289.db2.gz RDXIOAJKKMDYHY-KFWWJZLASA-N 1 1 234.387 3.581 20 30 BHEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC#N ZINC000069679575 368758038 /nfs/dbraw/zinc/75/80/38/368758038.db2.gz DCEFVGSTDBKCAM-HOTGVXAUSA-N 1 1 242.366 3.558 20 30 BHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC#N ZINC000069679577 368757330 /nfs/dbraw/zinc/75/73/30/368757330.db2.gz DCEFVGSTDBKCAM-CVEARBPZSA-N 1 1 242.366 3.558 20 30 BHEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC#N ZINC000069679580 368757785 /nfs/dbraw/zinc/75/77/85/368757785.db2.gz DCEFVGSTDBKCAM-JKSUJKDBSA-N 1 1 242.366 3.558 20 30 BHEDMO C=CC[N@@H+](CCCCC#N)CC1CCCCC1 ZINC000069859711 388869636 /nfs/dbraw/zinc/86/96/36/388869636.db2.gz IXIKGUISCGNJAV-UHFFFAOYSA-N 1 1 234.387 3.749 20 30 BHEDMO C=CC[N@H+](Cc1cc(C)no1)CC1CCCCC1 ZINC000069860136 343944108 /nfs/dbraw/zinc/94/41/08/343944108.db2.gz LPJZKQRORLSRIB-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CC[N@H+](Cc1cc(C)on1)CC1CCCCC1 ZINC000069860217 350845556 /nfs/dbraw/zinc/84/55/56/350845556.db2.gz OBNOWWJZESCXFP-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CC[N@@H+](Cc1cc(C)on1)CC1CCCCC1 ZINC000069860217 350845554 /nfs/dbraw/zinc/84/55/54/350845554.db2.gz OBNOWWJZESCXFP-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CC[N@H+](Cc1cccnc1)CC1CCCCC1 ZINC000070015774 368760744 /nfs/dbraw/zinc/76/07/44/368760744.db2.gz AFIWFSSIFMLAHB-UHFFFAOYSA-N 1 1 244.382 3.650 20 30 BHEDMO C=CC[N@H+](Cc1ccccn1)CC1CCCCC1 ZINC000070015922 371002819 /nfs/dbraw/zinc/00/28/19/371002819.db2.gz YNXSJTFGXVEABQ-UHFFFAOYSA-N 1 1 244.382 3.650 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)Cc1csc2ccccc12 ZINC000070165151 384083038 /nfs/dbraw/zinc/08/30/38/384083038.db2.gz BTCJMOIHLJFSSU-LLVKDONJSA-N 1 1 244.363 3.635 20 30 BHEDMO C[C@H](CC#N)[N@H+](C)Cc1csc2ccccc12 ZINC000070165151 384083034 /nfs/dbraw/zinc/08/30/34/384083034.db2.gz BTCJMOIHLJFSSU-LLVKDONJSA-N 1 1 244.363 3.635 20 30 BHEDMO CC[C@@H](C)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000070977438 343341313 /nfs/dbraw/zinc/34/13/13/343341313.db2.gz FALOLQQIXUKQDG-OAHLLOKOSA-N 1 1 244.382 3.981 20 30 BHEDMO CC[C@H](C)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000070977440 343341347 /nfs/dbraw/zinc/34/13/47/343341347.db2.gz FALOLQQIXUKQDG-HNNXBMFYSA-N 1 1 244.382 3.981 20 30 BHEDMO CCC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000071016084 384148767 /nfs/dbraw/zinc/14/87/67/384148767.db2.gz HQXLULMXLWKNPF-UHFFFAOYSA-N 1 1 230.355 3.592 20 30 BHEDMO CC(C)c1ccc(C[N@@H+](C)CCCCC#N)cc1 ZINC000071016260 384149044 /nfs/dbraw/zinc/14/90/44/384149044.db2.gz NOTXILXXVMYRJT-UHFFFAOYSA-N 1 1 244.382 3.936 20 30 BHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000071203001 359073796 /nfs/dbraw/zinc/07/37/96/359073796.db2.gz OVKHPFKDDSNCIM-CQSZACIVSA-N 1 1 236.403 3.828 20 30 BHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000071203002 359073667 /nfs/dbraw/zinc/07/36/67/359073667.db2.gz OVKHPFKDDSNCIM-AWEZNQCLSA-N 1 1 236.403 3.828 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC000071805263 323174111 /nfs/dbraw/zinc/17/41/11/323174111.db2.gz CORHIENETXXRDW-UHFFFAOYSA-N 1 1 217.356 3.701 20 30 BHEDMO C=C(Cl)C[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000071951840 711901063 /nfs/dbraw/zinc/90/10/63/711901063.db2.gz LNISBQJRSIMODZ-UHFFFAOYSA-N 1 1 249.785 3.966 20 30 BHEDMO C=C(Cl)C[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000071951840 711901061 /nfs/dbraw/zinc/90/10/61/711901061.db2.gz LNISBQJRSIMODZ-UHFFFAOYSA-N 1 1 249.785 3.966 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666117 368776964 /nfs/dbraw/zinc/77/69/64/368776964.db2.gz QDWNGWFVPDKDRM-LBPRGKRZSA-N 1 1 248.326 3.554 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072666118 368777095 /nfs/dbraw/zinc/77/70/95/368777095.db2.gz QDWNGWFVPDKDRM-GFCCVEGCSA-N 1 1 248.326 3.554 20 30 BHEDMO C=CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072802764 353278310 /nfs/dbraw/zinc/27/83/10/353278310.db2.gz WGTULNKBRFTAEI-GFCCVEGCSA-N 1 1 244.363 3.619 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072802764 353278308 /nfs/dbraw/zinc/27/83/08/353278308.db2.gz WGTULNKBRFTAEI-GFCCVEGCSA-N 1 1 244.363 3.619 20 30 BHEDMO C=CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072802766 353278357 /nfs/dbraw/zinc/27/83/57/353278357.db2.gz WGTULNKBRFTAEI-LBPRGKRZSA-N 1 1 244.363 3.619 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072802766 353278356 /nfs/dbraw/zinc/27/83/56/353278356.db2.gz WGTULNKBRFTAEI-LBPRGKRZSA-N 1 1 244.363 3.619 20 30 BHEDMO C=CC[N@H+](CCC(F)(F)F)Cc1cccs1 ZINC000072979870 368789092 /nfs/dbraw/zinc/78/90/92/368789092.db2.gz NCSPEJLRGLJAFY-UHFFFAOYSA-N 1 1 249.301 3.689 20 30 BHEDMO C=CC[N@@H+](CCC(F)(F)F)Cc1cccs1 ZINC000072979870 368789087 /nfs/dbraw/zinc/78/90/87/368789087.db2.gz NCSPEJLRGLJAFY-UHFFFAOYSA-N 1 1 249.301 3.689 20 30 BHEDMO CCCCC[N@@H+](CCCSCC#N)C(C)C ZINC000074981585 325273392 /nfs/dbraw/zinc/27/33/92/325273392.db2.gz YZSLIOAPHXHEBN-UHFFFAOYSA-N 1 1 242.432 3.534 20 30 BHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCC#N)C1 ZINC000075842794 359226935 /nfs/dbraw/zinc/22/69/35/359226935.db2.gz UKAZKYHVZQYCMF-IUODEOHRSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCC#N)C1 ZINC000075842795 359227211 /nfs/dbraw/zinc/22/72/11/359227211.db2.gz UKAZKYHVZQYCMF-SWLSCSKDSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCC#N)C1 ZINC000075842796 359226534 /nfs/dbraw/zinc/22/65/34/359226534.db2.gz UKAZKYHVZQYCMF-DOMZBBRYSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCC#N)C1 ZINC000075842797 359227028 /nfs/dbraw/zinc/22/70/28/359227028.db2.gz UKAZKYHVZQYCMF-WFASDCNBSA-N 1 1 246.329 3.512 20 30 BHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCC#N ZINC000075885696 344786447 /nfs/dbraw/zinc/78/64/47/344786447.db2.gz KPBHUBUZTJSENB-INIZCTEOSA-N 1 1 244.382 3.552 20 30 BHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCC#N ZINC000075885697 344786771 /nfs/dbraw/zinc/78/67/71/344786771.db2.gz KPBHUBUZTJSENB-MRXNPFEDSA-N 1 1 244.382 3.552 20 30 BHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCC#N ZINC000075885824 359232856 /nfs/dbraw/zinc/23/28/56/359232856.db2.gz XGOCGGWOVWKZJM-INIZCTEOSA-N 1 1 244.382 3.552 20 30 BHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCC#N ZINC000075885825 359232691 /nfs/dbraw/zinc/23/26/91/359232691.db2.gz XGOCGGWOVWKZJM-MRXNPFEDSA-N 1 1 244.382 3.552 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCC#N)C1 ZINC000075900216 359247188 /nfs/dbraw/zinc/24/71/88/359247188.db2.gz VADRZNQMXXOLCW-IUODEOHRSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCCC#N)C1 ZINC000075900218 359246956 /nfs/dbraw/zinc/24/69/56/359246956.db2.gz VADRZNQMXXOLCW-SWLSCSKDSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCC#N)C1 ZINC000075900219 359247159 /nfs/dbraw/zinc/24/71/59/359247159.db2.gz VADRZNQMXXOLCW-DOMZBBRYSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCC#N)C1 ZINC000075900220 359247202 /nfs/dbraw/zinc/24/72/02/359247202.db2.gz VADRZNQMXXOLCW-WFASDCNBSA-N 1 1 246.329 3.512 20 30 BHEDMO C=CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964033 325323662 /nfs/dbraw/zinc/32/36/62/325323662.db2.gz VTFUNGNTFQALRL-AWEZNQCLSA-N 1 1 247.407 3.677 20 30 BHEDMO C=CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964035 325323605 /nfs/dbraw/zinc/32/36/05/325323605.db2.gz VTFUNGNTFQALRL-CQSZACIVSA-N 1 1 247.407 3.677 20 30 BHEDMO C=CCCC[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000076071423 534714375 /nfs/dbraw/zinc/71/43/75/534714375.db2.gz UPUUQAOTDNWJPB-QWHCGFSZSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000076071424 166234561 /nfs/dbraw/zinc/23/45/61/166234561.db2.gz UPUUQAOTDNWJPB-STQMWFEESA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000076071425 166233038 /nfs/dbraw/zinc/23/30/38/166233038.db2.gz UPUUQAOTDNWJPB-CHWSQXEVSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000076071426 166232840 /nfs/dbraw/zinc/23/28/40/166232840.db2.gz UPUUQAOTDNWJPB-OLZOCXBDSA-N 1 1 227.417 3.559 20 30 BHEDMO CCC[C@]1(C)CCC[N@@H+](CCCCC#N)C1 ZINC000076145939 135013110 /nfs/dbraw/zinc/01/31/10/135013110.db2.gz MOONMTPFDCOFRH-CQSZACIVSA-N 1 1 222.376 3.582 20 30 BHEDMO CCC[C@@]1(C)CCC[N@@H+](CCCCC#N)C1 ZINC000076145940 535553664 /nfs/dbraw/zinc/55/36/64/535553664.db2.gz MOONMTPFDCOFRH-AWEZNQCLSA-N 1 1 222.376 3.582 20 30 BHEDMO C=CCCC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000076738446 353341225 /nfs/dbraw/zinc/34/12/25/353341225.db2.gz GFDQGVCZZONQBR-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=CCCC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000076738446 353341222 /nfs/dbraw/zinc/34/12/22/353341222.db2.gz GFDQGVCZZONQBR-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO N#CCCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000076748369 398246061 /nfs/dbraw/zinc/24/60/61/398246061.db2.gz HKRSUIMQTQMDBJ-INIZCTEOSA-N 1 1 242.366 3.907 20 30 BHEDMO N#CCCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000076748370 398246088 /nfs/dbraw/zinc/24/60/88/398246088.db2.gz HKRSUIMQTQMDBJ-MRXNPFEDSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804360 370356091 /nfs/dbraw/zinc/35/60/91/370356091.db2.gz ZWQCLUSCUGIZSN-CYBMUJFWSA-N 1 1 219.328 3.773 20 30 BHEDMO C=C(C)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804364 370356052 /nfs/dbraw/zinc/35/60/52/370356052.db2.gz ZWQCLUSCUGIZSN-ZDUSSCGKSA-N 1 1 219.328 3.773 20 30 BHEDMO N#CCCCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804521 487840263 /nfs/dbraw/zinc/84/02/63/487840263.db2.gz SDJXKEFHCJJWTA-AWEZNQCLSA-N 1 1 246.354 3.891 20 30 BHEDMO N#CCCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804525 487840325 /nfs/dbraw/zinc/84/03/25/487840325.db2.gz SDJXKEFHCJJWTA-CQSZACIVSA-N 1 1 246.354 3.891 20 30 BHEDMO C=CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000077250820 325371660 /nfs/dbraw/zinc/37/16/60/325371660.db2.gz GEVFOZAFTUITNJ-UHFFFAOYSA-N 1 1 243.272 3.627 20 30 BHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCCC#N ZINC000077364341 135062909 /nfs/dbraw/zinc/06/29/09/135062909.db2.gz GZNLRESGEZLIOD-AWEZNQCLSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCCC#N ZINC000077364343 135063125 /nfs/dbraw/zinc/06/31/25/135063125.db2.gz GZNLRESGEZLIOD-CQSZACIVSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@@H](c1ccccc1)[N@@H+](CCC#N)CC1CCC1 ZINC000077372585 135063333 /nfs/dbraw/zinc/06/33/33/135063333.db2.gz IPBXDMBPKHKBDK-AWEZNQCLSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H](c1ccccc1)[N@@H+](CCC#N)CC1CCC1 ZINC000077372587 135063276 /nfs/dbraw/zinc/06/32/76/135063276.db2.gz IPBXDMBPKHKBDK-CQSZACIVSA-N 1 1 242.366 3.763 20 30 BHEDMO C#CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000078516415 640774404 /nfs/dbraw/zinc/77/44/04/640774404.db2.gz FTJNADGOCRSEKK-UHFFFAOYSA-N 1 1 247.769 3.718 20 30 BHEDMO C[N@@H+](CCC#N)C1c2ccccc2-c2ccccc21 ZINC000078637588 536298379 /nfs/dbraw/zinc/29/83/79/536298379.db2.gz YBXCILKRTBMVED-UHFFFAOYSA-N 1 1 248.329 3.602 20 30 BHEDMO C[N@H+](CCC#N)C1c2ccccc2-c2ccccc21 ZINC000078637588 536298377 /nfs/dbraw/zinc/29/83/77/536298377.db2.gz YBXCILKRTBMVED-UHFFFAOYSA-N 1 1 248.329 3.602 20 30 BHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)cc1 ZINC000078642950 135131550 /nfs/dbraw/zinc/13/15/50/135131550.db2.gz SHPYDGASYBKUOZ-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)cc1 ZINC000078642950 135131549 /nfs/dbraw/zinc/13/15/49/135131549.db2.gz SHPYDGASYBKUOZ-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO Cc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000078643646 136273007 /nfs/dbraw/zinc/27/30/07/136273007.db2.gz NBJMUPAHINMUQX-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000078643646 136273006 /nfs/dbraw/zinc/27/30/06/136273006.db2.gz NBJMUPAHINMUQX-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO C=CC[N@H+](CCCCC)Cc1cccc(C#N)c1 ZINC000078775013 370599630 /nfs/dbraw/zinc/59/96/30/370599630.db2.gz LSACBXPNEXAFCE-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO N#CCCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000078830682 181036141 /nfs/dbraw/zinc/03/61/41/181036141.db2.gz STLYBWXCOIRBLA-ZDUSSCGKSA-N 1 1 232.327 3.500 20 30 BHEDMO N#CCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078830694 181036199 /nfs/dbraw/zinc/03/61/99/181036199.db2.gz STLYBWXCOIRBLA-CYBMUJFWSA-N 1 1 232.327 3.500 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000079054280 388689900 /nfs/dbraw/zinc/68/99/00/388689900.db2.gz ZIYUDJXIQFLSBR-CQSZACIVSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000079054283 388689189 /nfs/dbraw/zinc/68/91/89/388689189.db2.gz ZIYUDJXIQFLSBR-AWEZNQCLSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000079054563 388689443 /nfs/dbraw/zinc/68/94/43/388689443.db2.gz JRZGPVPQVNGPLW-CQSZACIVSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000079054569 388691484 /nfs/dbraw/zinc/69/14/84/388691484.db2.gz JRZGPVPQVNGPLW-AWEZNQCLSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079054647 388690918 /nfs/dbraw/zinc/69/09/18/388690918.db2.gz MULSPGIDIQEUMX-CQSZACIVSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079054651 388690938 /nfs/dbraw/zinc/69/09/38/388690938.db2.gz MULSPGIDIQEUMX-AWEZNQCLSA-N 1 1 242.366 3.570 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604404 345486456 /nfs/dbraw/zinc/48/64/56/345486456.db2.gz MPPQWPBYOBCGTG-CYBMUJFWSA-N 1 1 221.731 3.663 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604404 345486454 /nfs/dbraw/zinc/48/64/54/345486454.db2.gz MPPQWPBYOBCGTG-CYBMUJFWSA-N 1 1 221.731 3.663 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000081604405 345486127 /nfs/dbraw/zinc/48/61/27/345486127.db2.gz MPPQWPBYOBCGTG-ZDUSSCGKSA-N 1 1 221.731 3.663 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000081604405 345486124 /nfs/dbraw/zinc/48/61/24/345486124.db2.gz MPPQWPBYOBCGTG-ZDUSSCGKSA-N 1 1 221.731 3.663 20 30 BHEDMO C=CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000082187437 344152319 /nfs/dbraw/zinc/15/23/19/344152319.db2.gz CEMZEVFDTPEYIG-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C=CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000082187437 344152316 /nfs/dbraw/zinc/15/23/16/344152316.db2.gz CEMZEVFDTPEYIG-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCC#N ZINC000083219187 384476607 /nfs/dbraw/zinc/47/66/07/384476607.db2.gz SLXRGATYQJTMJW-ZDUSSCGKSA-N 1 1 244.382 3.891 20 30 BHEDMO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCC#N ZINC000083219187 384476598 /nfs/dbraw/zinc/47/65/98/384476598.db2.gz SLXRGATYQJTMJW-ZDUSSCGKSA-N 1 1 244.382 3.891 20 30 BHEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCC#N ZINC000083219189 384475106 /nfs/dbraw/zinc/47/51/06/384475106.db2.gz SLXRGATYQJTMJW-CYBMUJFWSA-N 1 1 244.382 3.891 20 30 BHEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCC#N ZINC000083219189 384475098 /nfs/dbraw/zinc/47/50/98/384475098.db2.gz SLXRGATYQJTMJW-CYBMUJFWSA-N 1 1 244.382 3.891 20 30 BHEDMO C=CCCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137536 387437412 /nfs/dbraw/zinc/43/74/12/387437412.db2.gz RZCWUVRKXHVLLY-UHFFFAOYSA-N 1 1 235.293 3.617 20 30 BHEDMO CC(C)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595036 384398160 /nfs/dbraw/zinc/39/81/60/384398160.db2.gz SLWNUKUDSVNYHE-UHFFFAOYSA-N 1 1 244.382 3.837 20 30 BHEDMO CC[N@@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000087595077 383850524 /nfs/dbraw/zinc/85/05/24/383850524.db2.gz CTCVZVBPHPQOHV-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C[N@@H+](CCC(C)(C)C#N)C1CCCCCC1 ZINC000087595191 383849866 /nfs/dbraw/zinc/84/98/66/383849866.db2.gz NRLZRIDUYKJMSV-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000087595196 256572757 /nfs/dbraw/zinc/57/27/57/256572757.db2.gz SPFQLPXQRMZHEK-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000087595200 383851368 /nfs/dbraw/zinc/85/13/68/383851368.db2.gz SPFQLPXQRMZHEK-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1cccs1 ZINC000087595283 383851449 /nfs/dbraw/zinc/85/14/49/383851449.db2.gz LFSFCNRGERXKRA-UHFFFAOYSA-N 1 1 236.384 3.510 20 30 BHEDMO CCC(CC)C[N@@H+](CC)CCC(C)(C)C#N ZINC000087595285 383849923 /nfs/dbraw/zinc/84/99/23/383849923.db2.gz XYDREYPRGGYNRJ-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CC(C)(C#N)CC[N@@H+](Cc1cccs1)C1CC1 ZINC000087595314 534985654 /nfs/dbraw/zinc/98/56/54/534985654.db2.gz UXZWGAPSROWGAK-UHFFFAOYSA-N 1 1 248.395 3.652 20 30 BHEDMO CCC1CCC([N@@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595316 256572562 /nfs/dbraw/zinc/57/25/62/256572562.db2.gz UKRAYGDUWKBISI-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(C)(C)C#N ZINC000087595329 383851620 /nfs/dbraw/zinc/85/16/20/383851620.db2.gz ULYNAJPRRMZLRR-NSHDSACASA-N 1 1 236.384 3.681 20 30 BHEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(C)(C)C#N ZINC000087595331 383850102 /nfs/dbraw/zinc/85/01/02/383850102.db2.gz ULYNAJPRRMZLRR-LLVKDONJSA-N 1 1 236.384 3.681 20 30 BHEDMO CCCCC[N@@H+](CCC(C)(C)C#N)C(C)C ZINC000087595386 383850199 /nfs/dbraw/zinc/85/01/99/383850199.db2.gz JGLVWPDDJFFYLY-UHFFFAOYSA-N 1 1 224.392 3.827 20 30 BHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCC(C)(C)C#N ZINC000087595452 383851855 /nfs/dbraw/zinc/85/18/55/383851855.db2.gz IWEPXKGTRUHWHX-LLVKDONJSA-N 1 1 248.395 3.607 20 30 BHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(C)(C)C#N ZINC000087595453 383851946 /nfs/dbraw/zinc/85/19/46/383851946.db2.gz IWEPXKGTRUHWHX-NSHDSACASA-N 1 1 248.395 3.607 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000087595477 383849854 /nfs/dbraw/zinc/84/98/54/383849854.db2.gz OJGOSEYGUQPPCQ-CQSZACIVSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000087595479 383850674 /nfs/dbraw/zinc/85/06/74/383850674.db2.gz OJGOSEYGUQPPCQ-AWEZNQCLSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCC(C)(C)C#N ZINC000087595575 134426242 /nfs/dbraw/zinc/42/62/42/134426242.db2.gz JCBKXOKCTWLMBA-LBPRGKRZSA-N 1 1 248.345 3.758 20 30 BHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCC(C)(C)C#N ZINC000087595577 383851343 /nfs/dbraw/zinc/85/13/43/383851343.db2.gz JCBKXOKCTWLMBA-GFCCVEGCSA-N 1 1 248.345 3.758 20 30 BHEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000087595701 383851111 /nfs/dbraw/zinc/85/11/11/383851111.db2.gz YMAJRBMPTBUEIY-CQSZACIVSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000087595703 383849937 /nfs/dbraw/zinc/84/99/37/383849937.db2.gz YMAJRBMPTBUEIY-AWEZNQCLSA-N 1 1 236.403 3.684 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000087608427 383853983 /nfs/dbraw/zinc/85/39/83/383853983.db2.gz DTCBSPVNVJHCDD-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000087608429 383854198 /nfs/dbraw/zinc/85/41/98/383854198.db2.gz DFTAHMJYKMLSBD-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000087608440 359919418 /nfs/dbraw/zinc/91/94/18/359919418.db2.gz PBRNZVUVYHMULH-BETUJISGSA-N 1 1 222.376 3.579 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000087608449 383854126 /nfs/dbraw/zinc/85/41/26/383854126.db2.gz BLWUSFUDNYRDCJ-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000087608455 384813404 /nfs/dbraw/zinc/81/34/04/384813404.db2.gz CUBAVYVYFNERLY-UHFFFAOYSA-N 1 1 244.382 3.838 20 30 BHEDMO CC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608458 383853957 /nfs/dbraw/zinc/85/39/57/383853957.db2.gz HILMSZACMLMWLD-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608459 383853282 /nfs/dbraw/zinc/85/32/82/383853282.db2.gz HILMSZACMLMWLD-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cccs1 ZINC000087608476 383853675 /nfs/dbraw/zinc/85/36/75/383853675.db2.gz MZUOAHKHOHEYFW-UHFFFAOYSA-N 1 1 236.384 3.510 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccsc1 ZINC000087608477 355403008 /nfs/dbraw/zinc/40/30/08/355403008.db2.gz QJDJMUMOYRJQLK-UHFFFAOYSA-N 1 1 236.384 3.510 20 30 BHEDMO CC[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000087608478 383853647 /nfs/dbraw/zinc/85/36/47/383853647.db2.gz ZSHYIJYUBMVJLC-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCCCCC1 ZINC000087608504 383854209 /nfs/dbraw/zinc/85/42/09/383854209.db2.gz AELIXPOSDZCFJS-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000087608507 383853414 /nfs/dbraw/zinc/85/34/14/383853414.db2.gz VGKQZKPUFAQMFL-CABCVRRESA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000087608508 383854078 /nfs/dbraw/zinc/85/40/78/383854078.db2.gz VGKQZKPUFAQMFL-GJZGRUSLSA-N 1 1 248.414 3.971 20 30 BHEDMO Cc1cccc(C[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000087608520 383853971 /nfs/dbraw/zinc/85/39/71/383853971.db2.gz AQVBPKIMMVPACS-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccccc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608521 383853509 /nfs/dbraw/zinc/85/35/09/383853509.db2.gz MRXOEFGWZADBBZ-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1F ZINC000087608522 383853299 /nfs/dbraw/zinc/85/32/99/383853299.db2.gz VJMTYAAVELZMEW-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000087608523 359920175 /nfs/dbraw/zinc/92/01/75/359920175.db2.gz OFOBRAINBUZNRW-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO CC1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000087608553 383853204 /nfs/dbraw/zinc/85/32/04/383853204.db2.gz JKYITKIAZRQSHW-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO CCCC[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608563 383854119 /nfs/dbraw/zinc/85/41/19/383854119.db2.gz CLZZIYLEUIBDFU-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)CC1CCCCC1 ZINC000087608564 384408159 /nfs/dbraw/zinc/40/81/59/384408159.db2.gz IIJQGAGRQQSYCQ-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608565 384408334 /nfs/dbraw/zinc/40/83/34/384408334.db2.gz ANSUHDDKIZBYGJ-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608566 384409609 /nfs/dbraw/zinc/40/96/09/384409609.db2.gz ANSUHDDKIZBYGJ-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608567 256527183 /nfs/dbraw/zinc/52/71/83/256527183.db2.gz ANSUHDDKIZBYGJ-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000087608568 256527776 /nfs/dbraw/zinc/52/77/76/256527776.db2.gz ANSUHDDKIZBYGJ-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)C[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000087608619 383854460 /nfs/dbraw/zinc/85/44/60/383854460.db2.gz REJJMLNMOOLDQW-UHFFFAOYSA-N 1 1 224.392 3.683 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000087608626 383853834 /nfs/dbraw/zinc/85/38/34/383853834.db2.gz AJDPELFNPHZSKA-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000087608627 383854103 /nfs/dbraw/zinc/85/41/03/383854103.db2.gz AJDPELFNPHZSKA-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000087608628 256572286 /nfs/dbraw/zinc/57/22/86/256572286.db2.gz AJDPELFNPHZSKA-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000087608629 383852721 /nfs/dbraw/zinc/85/27/21/383852721.db2.gz AJDPELFNPHZSKA-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000087608639 355404057 /nfs/dbraw/zinc/40/40/57/355404057.db2.gz MHYMIIQHZMXGKI-LBPRGKRZSA-N 1 1 224.392 3.683 20 30 BHEDMO C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C(C)(C)C ZINC000087608640 355404086 /nfs/dbraw/zinc/40/40/86/355404086.db2.gz MHYMIIQHZMXGKI-GFCCVEGCSA-N 1 1 224.392 3.683 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000087608658 359919515 /nfs/dbraw/zinc/91/95/15/359919515.db2.gz KNPZLGMDPHDXKA-OAHLLOKOSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000087608659 359919460 /nfs/dbraw/zinc/91/94/60/359919460.db2.gz KNPZLGMDPHDXKA-HNNXBMFYSA-N 1 1 248.414 3.971 20 30 BHEDMO C[C@@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608776 383852694 /nfs/dbraw/zinc/85/26/94/383852694.db2.gz CMHLJISNTJVUDW-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000087608777 383853797 /nfs/dbraw/zinc/85/37/97/383853797.db2.gz CMHLJISNTJVUDW-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000087608779 383854370 /nfs/dbraw/zinc/85/43/70/383854370.db2.gz SZDNGMHGMKLOLT-CQSZACIVSA-N 1 1 236.403 3.828 20 30 BHEDMO CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000087608780 383854394 /nfs/dbraw/zinc/85/43/94/383854394.db2.gz SZDNGMHGMKLOLT-AWEZNQCLSA-N 1 1 236.403 3.828 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCCC(C)(C)CC1 ZINC000087657785 383860051 /nfs/dbraw/zinc/86/00/51/383860051.db2.gz SKWWWWAAZHKYTH-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CC1(C)CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000087657790 355695508 /nfs/dbraw/zinc/69/55/08/355695508.db2.gz WTUBJMRNKJNJOB-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000087657807 355696921 /nfs/dbraw/zinc/69/69/21/355696921.db2.gz FXEJGIITVQGNEX-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC1(C)CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000087657811 355696936 /nfs/dbraw/zinc/69/69/36/355696936.db2.gz PKFLKHMVFUPZCG-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087770921 359926409 /nfs/dbraw/zinc/92/64/09/359926409.db2.gz QELAWQNTRCQUDH-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087770923 534983185 /nfs/dbraw/zinc/98/31/85/534983185.db2.gz QELAWQNTRCQUDH-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO CCCCCCCC[N@@H+](CC)C[C@@H](C)C#N ZINC000088204060 644512673 /nfs/dbraw/zinc/51/26/73/644512673.db2.gz COVKLNJXQUSGJD-AWEZNQCLSA-N 1 1 224.392 3.828 20 30 BHEDMO CCCCCCCC[N@@H+](CC)C[C@H](C)C#N ZINC000088204061 644513353 /nfs/dbraw/zinc/51/33/53/644513353.db2.gz COVKLNJXQUSGJD-CQSZACIVSA-N 1 1 224.392 3.828 20 30 BHEDMO CCCCCCCC[N@@H+](CC)CCC#N ZINC000088239367 644514979 /nfs/dbraw/zinc/51/49/79/644514979.db2.gz FSMCYCAKLPGJJP-UHFFFAOYSA-N 1 1 210.365 3.582 20 30 BHEDMO CCCCCCCCC[N@@H+](C)C[C@@H](C)C#N ZINC000088239549 644515188 /nfs/dbraw/zinc/51/51/88/644515188.db2.gz ZUDCMSILRHXNNZ-AWEZNQCLSA-N 1 1 224.392 3.828 20 30 BHEDMO CCCCCCCCC[N@@H+](C)C[C@H](C)C#N ZINC000088239551 644514442 /nfs/dbraw/zinc/51/44/42/644514442.db2.gz ZUDCMSILRHXNNZ-CQSZACIVSA-N 1 1 224.392 3.828 20 30 BHEDMO CC(C)[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000088259223 356646216 /nfs/dbraw/zinc/64/62/16/356646216.db2.gz LFGHEEWSNVEIBH-UHFFFAOYSA-N 1 1 242.366 3.591 20 30 BHEDMO CC(C)[N@@H+](Cc1cccs1)CC1(CC#N)CC1 ZINC000088259369 356647609 /nfs/dbraw/zinc/64/76/09/356647609.db2.gz RYYXAYVBNHRAEY-UHFFFAOYSA-N 1 1 248.395 3.652 20 30 BHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CC1(CC#N)CC1 ZINC000088259498 356645130 /nfs/dbraw/zinc/64/51/30/356645130.db2.gz MXSXPEOVDQFCRC-LBPRGKRZSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CC1(CC#N)CC1 ZINC000088259499 356645051 /nfs/dbraw/zinc/64/50/51/356645051.db2.gz MXSXPEOVDQFCRC-GFCCVEGCSA-N 1 1 246.329 3.512 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000091506930 345595594 /nfs/dbraw/zinc/59/55/94/345595594.db2.gz YNAUKVQHZCYKGA-AWEZNQCLSA-N 1 1 242.366 3.735 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000091506932 345595656 /nfs/dbraw/zinc/59/56/56/345595656.db2.gz YNAUKVQHZCYKGA-CQSZACIVSA-N 1 1 242.366 3.735 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1csc(C)n1 ZINC000091509722 345596436 /nfs/dbraw/zinc/59/64/36/345596436.db2.gz JRCCUUKOWIEFFJ-NSHDSACASA-N 1 1 238.400 3.628 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1csc(C)n1 ZINC000091509724 345596481 /nfs/dbraw/zinc/59/64/81/345596481.db2.gz JRCCUUKOWIEFFJ-LLVKDONJSA-N 1 1 238.400 3.628 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000091513526 345596547 /nfs/dbraw/zinc/59/65/47/345596547.db2.gz KQRVTMOCJBIRIJ-AWEZNQCLSA-N 1 1 232.371 3.648 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000091513527 345596727 /nfs/dbraw/zinc/59/67/27/345596727.db2.gz KQRVTMOCJBIRIJ-CQSZACIVSA-N 1 1 232.371 3.648 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000091517290 345596685 /nfs/dbraw/zinc/59/66/85/345596685.db2.gz KTDRURQYHIHOGX-AWEZNQCLSA-N 1 1 242.366 3.735 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000091517292 345596660 /nfs/dbraw/zinc/59/66/60/345596660.db2.gz KTDRURQYHIHOGX-CQSZACIVSA-N 1 1 242.366 3.735 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000091553645 345597704 /nfs/dbraw/zinc/59/77/04/345597704.db2.gz KXCGQRVLSVIOBF-JTQLQIEISA-N 1 1 223.282 3.615 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000091553646 345598553 /nfs/dbraw/zinc/59/85/53/345598553.db2.gz KXCGQRVLSVIOBF-SNVBAGLBSA-N 1 1 223.282 3.615 20 30 BHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091893516 360135411 /nfs/dbraw/zinc/13/54/11/360135411.db2.gz PJEVEOSXHHBWKP-ZIAGYGMSSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H](C)C1 ZINC000091893518 360135151 /nfs/dbraw/zinc/13/51/51/360135151.db2.gz PJEVEOSXHHBWKP-UONOGXRCSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@H+](Cc1cc(C)c(C)cc1C)C[C@@H](C)C#N ZINC000091982201 384095996 /nfs/dbraw/zinc/09/59/96/384095996.db2.gz AYPODGSBIPVUFH-LBPRGKRZSA-N 1 1 244.382 3.593 20 30 BHEDMO CC[N@@H+](Cc1cc(C)c(C)cc1C)C[C@@H](C)C#N ZINC000091982201 384095987 /nfs/dbraw/zinc/09/59/87/384095987.db2.gz AYPODGSBIPVUFH-LBPRGKRZSA-N 1 1 244.382 3.593 20 30 BHEDMO CC[N@H+](Cc1cc(C)c(C)cc1C)C[C@H](C)C#N ZINC000091982202 384096908 /nfs/dbraw/zinc/09/69/08/384096908.db2.gz AYPODGSBIPVUFH-GFCCVEGCSA-N 1 1 244.382 3.593 20 30 BHEDMO CC[N@@H+](Cc1cc(C)c(C)cc1C)C[C@H](C)C#N ZINC000091982202 384096898 /nfs/dbraw/zinc/09/68/98/384096898.db2.gz AYPODGSBIPVUFH-GFCCVEGCSA-N 1 1 244.382 3.593 20 30 BHEDMO CC[N@H+](C/C(C)=C/c1ccccc1)C[C@@H](C)C#N ZINC000091983459 384156797 /nfs/dbraw/zinc/15/67/97/384156797.db2.gz ABGMTNSYVHKKRV-IPJDOKCGSA-N 1 1 242.366 3.571 20 30 BHEDMO CC[N@@H+](C/C(C)=C/c1ccccc1)C[C@@H](C)C#N ZINC000091983459 384156793 /nfs/dbraw/zinc/15/67/93/384156793.db2.gz ABGMTNSYVHKKRV-IPJDOKCGSA-N 1 1 242.366 3.571 20 30 BHEDMO CC[N@H+](C/C(C)=C/c1ccccc1)C[C@H](C)C#N ZINC000091983460 384156716 /nfs/dbraw/zinc/15/67/16/384156716.db2.gz ABGMTNSYVHKKRV-YVGNARHYSA-N 1 1 242.366 3.571 20 30 BHEDMO CC[N@@H+](C/C(C)=C/c1ccccc1)C[C@H](C)C#N ZINC000091983460 384156712 /nfs/dbraw/zinc/15/67/12/384156712.db2.gz ABGMTNSYVHKKRV-YVGNARHYSA-N 1 1 242.366 3.571 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000092401833 360169440 /nfs/dbraw/zinc/16/94/40/360169440.db2.gz PNTKDOSAPDUVIO-OAHLLOKOSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000092401835 360169432 /nfs/dbraw/zinc/16/94/32/360169432.db2.gz PNTKDOSAPDUVIO-HNNXBMFYSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000092485945 387213355 /nfs/dbraw/zinc/21/33/55/387213355.db2.gz IKWKXUALECGGAK-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO 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KKPMURIIBZSVGV-UHFFFAOYSA-N 1 1 208.349 3.806 20 30 BHEDMO CC(C)C[N@@H+](CCCCC#N)C1CCCC1 ZINC000112204719 135026873 /nfs/dbraw/zinc/02/68/73/135026873.db2.gz OQOSEDNMUSNRRT-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)CC[N@@H+](CCCCC#N)C1CCCC1 ZINC000112204721 323166832 /nfs/dbraw/zinc/16/68/32/323166832.db2.gz DLGTUIOKYWXMEB-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCCCCn1cc[nH+]c1C(C)C ZINC000112308893 588790100 /nfs/dbraw/zinc/79/01/00/588790100.db2.gz KGGIJBSCUCFEOI-UHFFFAOYSA-N 1 1 208.349 3.977 20 30 BHEDMO CCCCCCCn1cc[nH+]c1CCC ZINC000112309264 588790096 /nfs/dbraw/zinc/79/00/96/588790096.db2.gz YNPBTLYITDQMDI-UHFFFAOYSA-N 1 1 208.349 3.806 20 30 BHEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCCC#N ZINC000112357705 135026769 /nfs/dbraw/zinc/02/67/69/135026769.db2.gz HEMLFCWLYIJGAS-MRXNPFEDSA-N 1 1 244.382 3.928 20 30 BHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCCC#N ZINC000112357706 135026479 /nfs/dbraw/zinc/02/64/79/135026479.db2.gz HEMLFCWLYIJGAS-INIZCTEOSA-N 1 1 244.382 3.928 20 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CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCC#N ZINC000112698977 344649871 /nfs/dbraw/zinc/64/98/71/344649871.db2.gz MRJQKNPZQKSPEK-HNNXBMFYSA-N 1 1 230.355 3.619 20 30 BHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCC#N ZINC000112698978 535168616 /nfs/dbraw/zinc/16/86/16/535168616.db2.gz MRJQKNPZQKSPEK-OAHLLOKOSA-N 1 1 230.355 3.619 20 30 BHEDMO C=CC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000112699358 323171640 /nfs/dbraw/zinc/17/16/40/323171640.db2.gz PAISFFPSPFZSJS-AWEZNQCLSA-N 1 1 203.329 3.502 20 30 BHEDMO C=CC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000112699359 323171625 /nfs/dbraw/zinc/17/16/25/323171625.db2.gz PAISFFPSPFZSJS-CQSZACIVSA-N 1 1 203.329 3.502 20 30 BHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000114493002 370569689 /nfs/dbraw/zinc/56/96/89/370569689.db2.gz CMCHKQBGPIXGQZ-MRXNPFEDSA-N 1 1 242.366 3.690 20 30 BHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000114493003 370569380 /nfs/dbraw/zinc/56/93/80/370569380.db2.gz CMCHKQBGPIXGQZ-INIZCTEOSA-N 1 1 242.366 3.690 20 30 BHEDMO CCCCCCC[N@@H+](CC#N)C1CCCC1 ZINC000114657827 588879282 /nfs/dbraw/zinc/87/92/82/588879282.db2.gz YNGKWFOPHKFRLR-UHFFFAOYSA-N 1 1 222.376 3.725 20 30 BHEDMO CCCCCCC[N@H+](CC#N)C1CCCC1 ZINC000114657827 588879281 /nfs/dbraw/zinc/87/92/81/588879281.db2.gz YNGKWFOPHKFRLR-UHFFFAOYSA-N 1 1 222.376 3.725 20 30 BHEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCCCC#N)s1 ZINC000114732789 134194232 /nfs/dbraw/zinc/19/42/32/134194232.db2.gz ABHHDQHCLWLBHF-ZDUSSCGKSA-N 1 1 248.395 3.887 20 30 BHEDMO Cc1ccc([C@H]2CCC[N@H+]2CCCCC#N)s1 ZINC000114732791 134194426 /nfs/dbraw/zinc/19/44/26/134194426.db2.gz ABHHDQHCLWLBHF-CYBMUJFWSA-N 1 1 248.395 3.887 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000115553338 134520602 /nfs/dbraw/zinc/52/06/02/134520602.db2.gz KEHYHDSNJWJWQB-ZBFHGGJFSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000115553340 344711722 /nfs/dbraw/zinc/71/17/22/344711722.db2.gz KEHYHDSNJWJWQB-HOCLYGCPSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000115553342 344711998 /nfs/dbraw/zinc/71/19/98/344711998.db2.gz KEHYHDSNJWJWQB-GDBMZVCRSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000115553343 344711683 /nfs/dbraw/zinc/71/16/83/344711683.db2.gz KEHYHDSNJWJWQB-GOEBONIOSA-N 1 1 242.366 3.558 20 30 BHEDMO CC(C)CC[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000116025325 323202741 /nfs/dbraw/zinc/20/27/41/323202741.db2.gz YAMVSFDXSWAVHY-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cccc2ccccc21 ZINC000117565621 342814342 /nfs/dbraw/zinc/81/43/42/342814342.db2.gz YRVWRVXLHNSXNP-UHFFFAOYSA-N 1 1 225.335 3.848 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000117871151 342978894 /nfs/dbraw/zinc/97/88/94/342978894.db2.gz IRBUWHPUDMLXTF-ZDUSSCGKSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000117871154 370978881 /nfs/dbraw/zinc/97/88/81/370978881.db2.gz IRBUWHPUDMLXTF-CYBMUJFWSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CCCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000117871363 350219991 /nfs/dbraw/zinc/21/99/91/350219991.db2.gz ANWUYBPLOJLWLD-UHFFFAOYSA-N 1 1 246.379 3.694 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000117872294 370978816 /nfs/dbraw/zinc/97/88/16/370978816.db2.gz AVXLKFLEUNZFDB-ZDUSSCGKSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000117872296 370978717 /nfs/dbraw/zinc/97/87/17/370978717.db2.gz AVXLKFLEUNZFDB-CYBMUJFWSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000117872493 134221757 /nfs/dbraw/zinc/22/17/57/134221757.db2.gz CTTIRECMWBIECA-UHFFFAOYSA-N 1 1 221.369 3.679 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000117873267 350224001 /nfs/dbraw/zinc/22/40/01/350224001.db2.gz AHKLXZZTCXBYQD-CYBMUJFWSA-N 1 1 221.369 3.851 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000117873270 344758963 /nfs/dbraw/zinc/75/89/63/344758963.db2.gz AHKLXZZTCXBYQD-ZDUSSCGKSA-N 1 1 221.369 3.851 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000117873484 370980038 /nfs/dbraw/zinc/98/00/38/370980038.db2.gz BEZYCIUCSRDNTQ-NSHDSACASA-N 1 1 209.358 3.707 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000117873486 370980123 /nfs/dbraw/zinc/98/01/23/370980123.db2.gz BEZYCIUCSRDNTQ-LLVKDONJSA-N 1 1 209.358 3.707 20 30 BHEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000117873493 370980300 /nfs/dbraw/zinc/98/03/00/370980300.db2.gz MQVXZVVLFCFEDD-AWEZNQCLSA-N 1 1 242.366 3.907 20 30 BHEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000117873496 370980378 /nfs/dbraw/zinc/98/03/78/370980378.db2.gz MQVXZVVLFCFEDD-CQSZACIVSA-N 1 1 242.366 3.907 20 30 BHEDMO C=CCCC[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000117875126 388091958 /nfs/dbraw/zinc/09/19/58/388091958.db2.gz RVEWUJPZRORIOJ-UHFFFAOYSA-N 1 1 240.350 3.512 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000117875168 350224741 /nfs/dbraw/zinc/22/47/41/350224741.db2.gz IXGJYDOZLNTGGM-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000117875170 350224755 /nfs/dbraw/zinc/22/47/55/350224755.db2.gz IXGJYDOZLNTGGM-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000117875208 388092585 /nfs/dbraw/zinc/09/25/85/388092585.db2.gz IUUGYFGPWBYIMS-ZDUSSCGKSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000117875210 388092210 /nfs/dbraw/zinc/09/22/10/388092210.db2.gz IUUGYFGPWBYIMS-CYBMUJFWSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000117875228 370979995 /nfs/dbraw/zinc/97/99/95/370979995.db2.gz PURCEWBIDRLLCY-UHFFFAOYSA-N 1 1 242.366 3.735 20 30 BHEDMO C=CCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000117875844 370979879 /nfs/dbraw/zinc/97/98/79/370979879.db2.gz NZHSINGVXZQAOB-UHFFFAOYSA-N 1 1 245.366 3.570 20 30 BHEDMO C=CCCC[N@H+](CCC)Cc1ccccc1O ZINC000117877098 589136660 /nfs/dbraw/zinc/13/66/60/589136660.db2.gz AWNFEPYYMGYPEJ-UHFFFAOYSA-N 1 1 233.355 3.570 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000117881150 344759564 /nfs/dbraw/zinc/75/95/64/344759564.db2.gz NCMUTYVFFQBWPU-LLVKDONJSA-N 1 1 238.400 3.719 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000117881152 384609787 /nfs/dbraw/zinc/60/97/87/384609787.db2.gz NCMUTYVFFQBWPU-NSHDSACASA-N 1 1 238.400 3.719 20 30 BHEDMO N#CCCCC[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896574 134221675 /nfs/dbraw/zinc/22/16/75/134221675.db2.gz XWABNDFGJFDERV-UHFFFAOYSA-N 1 1 246.379 3.531 20 30 BHEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CCC#N)c1 ZINC000117897962 134222019 /nfs/dbraw/zinc/22/20/19/134222019.db2.gz ZWGKBYPAWJXVRX-INIZCTEOSA-N 1 1 242.366 3.826 20 30 BHEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CCC#N)c1 ZINC000117897964 134222032 /nfs/dbraw/zinc/22/20/32/134222032.db2.gz ZWGKBYPAWJXVRX-MRXNPFEDSA-N 1 1 242.366 3.826 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000118390312 345490247 /nfs/dbraw/zinc/49/02/47/345490247.db2.gz AXGHDBGWHKLVRX-MJBXVCDLSA-N 1 1 242.366 3.597 20 30 BHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118393001 345522735 /nfs/dbraw/zinc/52/27/35/345522735.db2.gz LKNPWPFXGUSAQJ-UONOGXRCSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118393005 345522572 /nfs/dbraw/zinc/52/25/72/345522572.db2.gz LKNPWPFXGUSAQJ-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000118394862 176013186 /nfs/dbraw/zinc/01/31/86/176013186.db2.gz NUZOXTMOOVVKDL-KGLIPLIRSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)CC1 ZINC000118394865 177103714 /nfs/dbraw/zinc/10/37/14/177103714.db2.gz NUZOXTMOOVVKDL-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1Cc2ccccc2C1 ZINC000118398687 176012737 /nfs/dbraw/zinc/01/27/37/176012737.db2.gz VDDNLWVHVMWQFJ-ZDUSSCGKSA-N 1 1 248.329 3.635 20 30 BHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1Cc2ccccc2C1 ZINC000118398691 177032938 /nfs/dbraw/zinc/03/29/38/177032938.db2.gz VDDNLWVHVMWQFJ-CYBMUJFWSA-N 1 1 248.329 3.635 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC(C)(C)C1 ZINC000118399726 388730282 /nfs/dbraw/zinc/73/02/82/388730282.db2.gz ZEGNPAMILOSERF-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC(C)(C)C1 ZINC000118399729 388729574 /nfs/dbraw/zinc/72/95/74/388729574.db2.gz ZEGNPAMILOSERF-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C=CCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119131578 411261582 /nfs/dbraw/zinc/26/15/82/411261582.db2.gz YYJZGIYCBBEBJI-LBPRGKRZSA-N 1 1 219.328 3.771 20 30 BHEDMO C=CCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119131684 411261506 /nfs/dbraw/zinc/26/15/06/411261506.db2.gz YYJZGIYCBBEBJI-GFCCVEGCSA-N 1 1 219.328 3.771 20 30 BHEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C1CCCC1 ZINC000119621908 387141448 /nfs/dbraw/zinc/14/14/48/387141448.db2.gz DGFNXMFCNDPUKG-UHFFFAOYSA-N 1 1 222.376 3.579 20 30 BHEDMO CCCCCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000119652391 589321909 /nfs/dbraw/zinc/32/19/09/589321909.db2.gz PGDSPIBQGXDXFG-UHFFFAOYSA-N 1 1 241.419 3.846 20 30 BHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696189 344859983 /nfs/dbraw/zinc/85/99/83/344859983.db2.gz KVXNZQQVPAQLLY-HIFRSBDPSA-N 1 1 242.366 3.619 20 30 BHEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000119696334 344859658 /nfs/dbraw/zinc/85/96/58/344859658.db2.gz KVXNZQQVPAQLLY-ZFWWWQNUSA-N 1 1 242.366 3.619 20 30 BHEDMO CC1CCC([N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000119883796 168159049 /nfs/dbraw/zinc/15/90/49/168159049.db2.gz VCWZHRSVZLDROI-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000119895809 344869482 /nfs/dbraw/zinc/86/94/82/344869482.db2.gz VMWXNNURIUMSKW-CYBMUJFWSA-N 1 1 248.395 3.825 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000119895979 344869562 /nfs/dbraw/zinc/86/95/62/344869562.db2.gz VMWXNNURIUMSKW-ZDUSSCGKSA-N 1 1 248.395 3.825 20 30 BHEDMO C[C@@H](c1ccco1)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000119897713 176031335 /nfs/dbraw/zinc/03/13/35/176031335.db2.gz IXCGBZQAQDZNSX-LBPRGKRZSA-N 1 1 246.354 3.745 20 30 BHEDMO C[C@H](c1ccco1)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000119897861 177047912 /nfs/dbraw/zinc/04/79/12/177047912.db2.gz IXCGBZQAQDZNSX-GFCCVEGCSA-N 1 1 246.354 3.745 20 30 BHEDMO C=CC[N@H+](Cc1ccc(C)o1)Cc1cccs1 ZINC000119931658 344686575 /nfs/dbraw/zinc/68/65/75/344686575.db2.gz XDHVMTSLMRMMQJ-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(C)o1)Cc1cccs1 ZINC000119931658 344686572 /nfs/dbraw/zinc/68/65/72/344686572.db2.gz XDHVMTSLMRMMQJ-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)Cc1occc1C ZINC000119940187 344686027 /nfs/dbraw/zinc/68/60/27/344686027.db2.gz XPLJCXQEGLBPQY-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO C=CC[N@H+](Cc1cccs1)Cc1occc1C ZINC000119940187 344686023 /nfs/dbraw/zinc/68/60/23/344686023.db2.gz XPLJCXQEGLBPQY-UHFFFAOYSA-N 1 1 247.363 3.838 20 30 BHEDMO C=CC[N@H+](Cc1ccsc1)Cc1cccs1 ZINC000119947346 344685915 /nfs/dbraw/zinc/68/59/15/344685915.db2.gz VVGLEEOPHBKPBT-UHFFFAOYSA-N 1 1 249.404 3.998 20 30 BHEDMO C=CC[N@@H+](Cc1ccsc1)Cc1cccs1 ZINC000119947346 344685913 /nfs/dbraw/zinc/68/59/13/344685913.db2.gz VVGLEEOPHBKPBT-UHFFFAOYSA-N 1 1 249.404 3.998 20 30 BHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1C ZINC000120056203 343107300 /nfs/dbraw/zinc/10/73/00/343107300.db2.gz BSCCZHHWLKAMHM-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1C ZINC000120056378 343107514 /nfs/dbraw/zinc/10/75/14/343107514.db2.gz BSCCZHHWLKAMHM-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO N#CCCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000120085692 344876141 /nfs/dbraw/zinc/87/61/41/344876141.db2.gz YKDQZBOSBMNEHK-UHFFFAOYSA-N 1 1 246.354 3.718 20 30 BHEDMO CC[N@@H+](CCCCC#N)[C@@H]1CCCC[C@@H]1C ZINC000120092535 387178426 /nfs/dbraw/zinc/17/84/26/387178426.db2.gz DCTLLRKQFDRMRS-UONOGXRCSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[N@@H+](CCCCC#N)[C@H]1CCCC[C@@H]1C ZINC000120092707 344877118 /nfs/dbraw/zinc/87/71/18/344877118.db2.gz DCTLLRKQFDRMRS-KBPBESRZSA-N 1 1 222.376 3.581 20 30 BHEDMO Cc1ccc(C[N@@H+](CCCC#N)C2CC2)cc1C ZINC000120461154 134229545 /nfs/dbraw/zinc/22/95/45/134229545.db2.gz XJCJEGDWAXUNIG-UHFFFAOYSA-N 1 1 242.366 3.572 20 30 BHEDMO CCCCCCC[N@@H+](C)CCC1CCOCC1 ZINC000120547193 589434429 /nfs/dbraw/zinc/43/44/29/589434429.db2.gz ZTNCEEFTEKMSEE-UHFFFAOYSA-N 1 1 241.419 3.705 20 30 BHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCC#N ZINC000120614430 535773201 /nfs/dbraw/zinc/77/32/01/535773201.db2.gz SFMMNJXJIKXVSP-INIZCTEOSA-N 1 1 244.382 3.633 20 30 BHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCC#N ZINC000120614588 134229824 /nfs/dbraw/zinc/22/98/24/134229824.db2.gz SFMMNJXJIKXVSP-MRXNPFEDSA-N 1 1 244.382 3.633 20 30 BHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000120725464 343130564 /nfs/dbraw/zinc/13/05/64/343130564.db2.gz YQNAOWJVWXCKMB-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000120725638 343130369 /nfs/dbraw/zinc/13/03/69/343130369.db2.gz YQNAOWJVWXCKMB-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000120725779 343130595 /nfs/dbraw/zinc/13/05/95/343130595.db2.gz YQNAOWJVWXCKMB-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000120725919 343130559 /nfs/dbraw/zinc/13/05/59/343130559.db2.gz YQNAOWJVWXCKMB-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCCCC#N ZINC000120746467 387193782 /nfs/dbraw/zinc/19/37/82/387193782.db2.gz OQXRUEKESIQJOS-HNNXBMFYSA-N 1 1 236.403 3.971 20 30 BHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCCCC#N ZINC000120746601 387194873 /nfs/dbraw/zinc/19/48/73/387194873.db2.gz OQXRUEKESIQJOS-OAHLLOKOSA-N 1 1 236.403 3.971 20 30 BHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000120789861 387195949 /nfs/dbraw/zinc/19/59/49/387195949.db2.gz NBQFJVMLRGJANX-KGLIPLIRSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000120790035 387197394 /nfs/dbraw/zinc/19/73/94/387197394.db2.gz NBQFJVMLRGJANX-KBPBESRZSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000120790199 387197159 /nfs/dbraw/zinc/19/71/59/387197159.db2.gz NBQFJVMLRGJANX-ZIAGYGMSSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000120790321 387197148 /nfs/dbraw/zinc/19/71/48/387197148.db2.gz NBQFJVMLRGJANX-UONOGXRCSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000120961776 398201517 /nfs/dbraw/zinc/20/15/17/398201517.db2.gz IZRUTIVWUHOQDL-CQSZACIVSA-N 1 1 236.403 3.828 20 30 BHEDMO CCC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000120961934 398201419 /nfs/dbraw/zinc/20/14/19/398201419.db2.gz IZRUTIVWUHOQDL-AWEZNQCLSA-N 1 1 236.403 3.828 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120972760 344906596 /nfs/dbraw/zinc/90/65/96/344906596.db2.gz GSFAKVJSTMABGF-LLVKDONJSA-N 1 1 238.400 3.754 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120972918 534816464 /nfs/dbraw/zinc/81/64/64/534816464.db2.gz GSFAKVJSTMABGF-NSHDSACASA-N 1 1 238.400 3.754 20 30 BHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(C)C ZINC000121033879 355202858 /nfs/dbraw/zinc/20/28/58/355202858.db2.gz KGJCIKVRBKSGET-LBPRGKRZSA-N 1 1 248.345 3.564 20 30 BHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)C(C)C ZINC000121034042 355206583 /nfs/dbraw/zinc/20/65/83/355206583.db2.gz KGJCIKVRBKSGET-GFCCVEGCSA-N 1 1 248.345 3.564 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc2cccnc21 ZINC000121060889 534708754 /nfs/dbraw/zinc/70/87/54/534708754.db2.gz OYGLTNQZQQPAJJ-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C=CC[N@H+](C)Cc1cc2ccccc2s1 ZINC000121227765 324006414 /nfs/dbraw/zinc/00/64/14/324006414.db2.gz VJIUSSSAZCPHMB-UHFFFAOYSA-N 1 1 217.337 3.519 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)oc2ccccc21 ZINC000121282431 344918657 /nfs/dbraw/zinc/91/86/57/344918657.db2.gz IRNBFTULMLMIIA-LBPRGKRZSA-N 1 1 242.322 3.523 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)oc2ccccc21 ZINC000121282615 344918928 /nfs/dbraw/zinc/91/89/28/344918928.db2.gz IRNBFTULMLMIIA-GFCCVEGCSA-N 1 1 242.322 3.523 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000121294563 534815633 /nfs/dbraw/zinc/81/56/33/534815633.db2.gz JBBBCTJLUGHWDD-LBPRGKRZSA-N 1 1 242.322 3.520 20 30 BHEDMO C=CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000121294563 534815631 /nfs/dbraw/zinc/81/56/31/534815631.db2.gz JBBBCTJLUGHWDD-LBPRGKRZSA-N 1 1 242.322 3.520 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000121294713 534817912 /nfs/dbraw/zinc/81/79/12/534817912.db2.gz JBBBCTJLUGHWDD-GFCCVEGCSA-N 1 1 242.322 3.520 20 30 BHEDMO C=CC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000121294713 534817908 /nfs/dbraw/zinc/81/79/08/534817908.db2.gz JBBBCTJLUGHWDD-GFCCVEGCSA-N 1 1 242.322 3.520 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000121311052 324010545 /nfs/dbraw/zinc/01/05/45/324010545.db2.gz XOXJNPVIUNXGEH-VIFPVBQESA-N 1 1 227.710 3.658 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000121311199 324010333 /nfs/dbraw/zinc/01/03/33/324010333.db2.gz XOXJNPVIUNXGEH-SECBINFHSA-N 1 1 227.710 3.658 20 30 BHEDMO CC(C)c1ccc(CC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000121368240 134233129 /nfs/dbraw/zinc/23/31/29/134233129.db2.gz BWCPKKKGSKSRJD-AWEZNQCLSA-N 1 1 244.382 3.586 20 30 BHEDMO CC(C)c1ccc(CC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000121368240 134233128 /nfs/dbraw/zinc/23/31/28/134233128.db2.gz BWCPKKKGSKSRJD-AWEZNQCLSA-N 1 1 244.382 3.586 20 30 BHEDMO CC(C)c1ccc(CC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000121368416 134233113 /nfs/dbraw/zinc/23/31/13/134233113.db2.gz BWCPKKKGSKSRJD-CQSZACIVSA-N 1 1 244.382 3.586 20 30 BHEDMO CC(C)c1ccc(CC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000121368416 134233112 /nfs/dbraw/zinc/23/31/12/134233112.db2.gz BWCPKKKGSKSRJD-CQSZACIVSA-N 1 1 244.382 3.586 20 30 BHEDMO C=CC[N@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000121384352 324009678 /nfs/dbraw/zinc/00/96/78/324009678.db2.gz UMBXZTWPINAURE-ZDUSSCGKSA-N 1 1 225.282 3.534 20 30 BHEDMO C=CC[N@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000121384517 324010104 /nfs/dbraw/zinc/01/01/04/324010104.db2.gz UMBXZTWPINAURE-CYBMUJFWSA-N 1 1 225.282 3.534 20 30 BHEDMO C=CC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000121413552 324011230 /nfs/dbraw/zinc/01/12/30/324011230.db2.gz DJNBICOVDHKGEW-UHFFFAOYSA-N 1 1 246.741 3.506 20 30 BHEDMO C=CC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000121486839 324014506 /nfs/dbraw/zinc/01/45/06/324014506.db2.gz YNCFMEMQGFGWJB-UHFFFAOYSA-N 1 1 246.741 3.506 20 30 BHEDMO C=CC[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000121492392 324015238 /nfs/dbraw/zinc/01/52/38/324015238.db2.gz JMGUDOXNAZCSAD-UHFFFAOYSA-N 1 1 246.741 3.506 20 30 BHEDMO C=CC[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000121492392 324015234 /nfs/dbraw/zinc/01/52/34/324015234.db2.gz JMGUDOXNAZCSAD-UHFFFAOYSA-N 1 1 246.741 3.506 20 30 BHEDMO N#CCC[N@@H+](CCCC1CCCC1)CC1CC1 ZINC000121678753 134234920 /nfs/dbraw/zinc/23/49/20/134234920.db2.gz YYHFQOQLIIGPIM-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122038500 384454065 /nfs/dbraw/zinc/45/40/65/384454065.db2.gz KUFPODMXBZXUPY-LLVKDONJSA-N 1 1 238.400 3.583 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122038713 135226480 /nfs/dbraw/zinc/22/64/80/135226480.db2.gz KUFPODMXBZXUPY-NSHDSACASA-N 1 1 238.400 3.583 20 30 BHEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCCCCC1 ZINC000122066926 324026435 /nfs/dbraw/zinc/02/64/35/324026435.db2.gz KACKVYBCLWKFPG-UHFFFAOYSA-N 1 1 248.395 3.774 20 30 BHEDMO C[N@@H+](Cc1cc(C#N)cs1)C1CCCCCC1 ZINC000122068825 324025853 /nfs/dbraw/zinc/02/58/53/324025853.db2.gz LHPFBAMTPTUPEO-UHFFFAOYSA-N 1 1 248.395 3.774 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122074226 534770025 /nfs/dbraw/zinc/77/00/25/534770025.db2.gz SGMAAWPUDADZQU-LLVKDONJSA-N 1 1 238.400 3.583 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122074453 534770601 /nfs/dbraw/zinc/77/06/01/534770601.db2.gz SGMAAWPUDADZQU-NSHDSACASA-N 1 1 238.400 3.583 20 30 BHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000122232969 324035128 /nfs/dbraw/zinc/03/51/28/324035128.db2.gz JNNPZKXFUZUIQD-NSHDSACASA-N 1 1 242.322 3.633 20 30 BHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc2ccccc2o1 ZINC000122233153 324034828 /nfs/dbraw/zinc/03/48/28/324034828.db2.gz JNNPZKXFUZUIQD-LLVKDONJSA-N 1 1 242.322 3.633 20 30 BHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCC#N)c1C ZINC000122317184 134238566 /nfs/dbraw/zinc/23/85/66/134238566.db2.gz HGBJQYIZKFHTPH-INIZCTEOSA-N 1 1 242.366 3.744 20 30 BHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCC#N)c1C ZINC000122317436 134238570 /nfs/dbraw/zinc/23/85/70/134238570.db2.gz HGBJQYIZKFHTPH-MRXNPFEDSA-N 1 1 242.366 3.744 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122658505 324052565 /nfs/dbraw/zinc/05/25/65/324052565.db2.gz NPZZDFWSWPFFDH-RDBSUJKOSA-N 1 1 242.366 3.597 20 30 BHEDMO CC(C)CC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122867230 366085375 /nfs/dbraw/zinc/08/53/75/366085375.db2.gz AQWVOWDMKISTFD-ZDUSSCGKSA-N 1 1 230.355 3.597 20 30 BHEDMO CC(C)CC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122867454 366109671 /nfs/dbraw/zinc/10/96/71/366109671.db2.gz AQWVOWDMKISTFD-CYBMUJFWSA-N 1 1 230.355 3.597 20 30 BHEDMO CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC#N ZINC000123034973 134242618 /nfs/dbraw/zinc/24/26/18/134242618.db2.gz JKJDOHOWUYNPCK-ZDUSSCGKSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC#N ZINC000123034973 134242617 /nfs/dbraw/zinc/24/26/17/134242617.db2.gz JKJDOHOWUYNPCK-ZDUSSCGKSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC#N ZINC000123035219 134242297 /nfs/dbraw/zinc/24/22/97/134242297.db2.gz JKJDOHOWUYNPCK-CYBMUJFWSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC#N ZINC000123035219 134242296 /nfs/dbraw/zinc/24/22/96/134242296.db2.gz JKJDOHOWUYNPCK-CYBMUJFWSA-N 1 1 236.746 3.637 20 30 BHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000123242071 324102867 /nfs/dbraw/zinc/10/28/67/324102867.db2.gz NPWJVANIPZZOFG-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCC#N ZINC000123312239 357223453 /nfs/dbraw/zinc/22/34/53/357223453.db2.gz GBCJECSNQDUBDN-AWEZNQCLSA-N 1 1 234.318 3.512 20 30 BHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCC#N ZINC000123312239 357223448 /nfs/dbraw/zinc/22/34/48/357223448.db2.gz GBCJECSNQDUBDN-AWEZNQCLSA-N 1 1 234.318 3.512 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCC#N ZINC000123312465 387683588 /nfs/dbraw/zinc/68/35/88/387683588.db2.gz GBCJECSNQDUBDN-CQSZACIVSA-N 1 1 234.318 3.512 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCC#N ZINC000123312465 387683585 /nfs/dbraw/zinc/68/35/85/387683585.db2.gz GBCJECSNQDUBDN-CQSZACIVSA-N 1 1 234.318 3.512 20 30 BHEDMO CCCC[N@@H+](CCC#N)[C@@H](C)c1ccccc1 ZINC000123366884 387685371 /nfs/dbraw/zinc/68/53/71/387685371.db2.gz NVWFIDNWEXIPKI-AWEZNQCLSA-N 1 1 230.355 3.763 20 30 BHEDMO CCCC[N@@H+](CCC#N)[C@H](C)c1ccccc1 ZINC000123367103 387687195 /nfs/dbraw/zinc/68/71/95/387687195.db2.gz NVWFIDNWEXIPKI-CQSZACIVSA-N 1 1 230.355 3.763 20 30 BHEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000123474356 134243725 /nfs/dbraw/zinc/24/37/25/134243725.db2.gz DKJDBSBROZXMPE-AWEZNQCLSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCCCC#N ZINC000123474544 134243593 /nfs/dbraw/zinc/24/35/93/134243593.db2.gz DKJDBSBROZXMPE-CQSZACIVSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccs1 ZINC000123495780 166834361 /nfs/dbraw/zinc/83/43/61/166834361.db2.gz AWJOJYMOAMBEKK-UHFFFAOYSA-N 1 1 236.384 3.510 20 30 BHEDMO CC(C)CC[N@H+](CCC#N)Cc1cccs1 ZINC000123495780 166834359 /nfs/dbraw/zinc/83/43/59/166834359.db2.gz AWJOJYMOAMBEKK-UHFFFAOYSA-N 1 1 236.384 3.510 20 30 BHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCCC#N)cc1 ZINC000124559051 358518537 /nfs/dbraw/zinc/51/85/37/358518537.db2.gz IHVIUFRECJVPMU-INIZCTEOSA-N 1 1 242.366 3.826 20 30 BHEDMO Cc1ccc([C@H]2CCCC[N@H+]2CCCC#N)cc1 ZINC000124559265 358518454 /nfs/dbraw/zinc/51/84/54/358518454.db2.gz IHVIUFRECJVPMU-MRXNPFEDSA-N 1 1 242.366 3.826 20 30 BHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000124568591 358519663 /nfs/dbraw/zinc/51/96/63/358519663.db2.gz COONTTXEVSRKBM-QWHCGFSZSA-N 1 1 222.376 3.579 20 30 BHEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000124568788 358519169 /nfs/dbraw/zinc/51/91/69/358519169.db2.gz COONTTXEVSRKBM-STQMWFEESA-N 1 1 222.376 3.579 20 30 BHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000124568943 134606902 /nfs/dbraw/zinc/60/69/02/134606902.db2.gz COONTTXEVSRKBM-CHWSQXEVSA-N 1 1 222.376 3.579 20 30 BHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000124569168 358519262 /nfs/dbraw/zinc/51/92/62/358519262.db2.gz COONTTXEVSRKBM-OLZOCXBDSA-N 1 1 222.376 3.579 20 30 BHEDMO C=CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000124934909 358530513 /nfs/dbraw/zinc/53/05/13/358530513.db2.gz HWTPQFVTYNYQSC-UHFFFAOYSA-N 1 1 219.328 3.600 20 30 BHEDMO N#CCCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000124970028 345061069 /nfs/dbraw/zinc/06/10/69/345061069.db2.gz ZKVVKMUJYWGKTF-UHFFFAOYSA-N 1 1 246.354 3.718 20 30 BHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCC#N)cc1 ZINC000125506881 358540810 /nfs/dbraw/zinc/54/08/10/358540810.db2.gz FWLIAMPBUJQXLF-INIZCTEOSA-N 1 1 242.366 3.861 20 30 BHEDMO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCC#N)cc1 ZINC000125506881 358540805 /nfs/dbraw/zinc/54/08/05/358540805.db2.gz FWLIAMPBUJQXLF-INIZCTEOSA-N 1 1 242.366 3.861 20 30 BHEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2CCC#N)cc1 ZINC000125507118 358541136 /nfs/dbraw/zinc/54/11/36/358541136.db2.gz FWLIAMPBUJQXLF-MRXNPFEDSA-N 1 1 242.366 3.861 20 30 BHEDMO CC(C)c1ccc([C@H]2CCC[N@@H+]2CCC#N)cc1 ZINC000125507118 358541134 /nfs/dbraw/zinc/54/11/34/358541134.db2.gz FWLIAMPBUJQXLF-MRXNPFEDSA-N 1 1 242.366 3.861 20 30 BHEDMO CC[N@@H+](CC=C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125763815 388806791 /nfs/dbraw/zinc/80/67/91/388806791.db2.gz SDTKBGVRAMNSQK-AWEZNQCLSA-N 1 1 242.366 3.907 20 30 BHEDMO C=CC[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126989102 388710528 /nfs/dbraw/zinc/71/05/28/388710528.db2.gz JJKDKCJOEPXKHB-OAHLLOKOSA-N 1 1 244.382 3.603 20 30 BHEDMO C=CC[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126989340 388710709 /nfs/dbraw/zinc/71/07/09/388710709.db2.gz JJKDKCJOEPXKHB-HNNXBMFYSA-N 1 1 244.382 3.603 20 30 BHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000126991800 384234416 /nfs/dbraw/zinc/23/44/16/384234416.db2.gz UOMGGTUQMKAMSA-AWEZNQCLSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000126992062 323074975 /nfs/dbraw/zinc/07/49/75/323074975.db2.gz UOMGGTUQMKAMSA-CQSZACIVSA-N 1 1 248.395 3.630 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000127235206 344062459 /nfs/dbraw/zinc/06/24/59/344062459.db2.gz BDLCCUISMMXZEO-CQSZACIVSA-N 1 1 248.395 3.632 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000127235438 344062532 /nfs/dbraw/zinc/06/25/32/344062532.db2.gz BDLCCUISMMXZEO-AWEZNQCLSA-N 1 1 248.395 3.632 20 30 BHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000127287150 388719784 /nfs/dbraw/zinc/71/97/84/388719784.db2.gz MEVOFMJQMSFWSB-ZIAGYGMSSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H](C)C1 ZINC000127287384 388720007 /nfs/dbraw/zinc/72/00/07/388720007.db2.gz MEVOFMJQMSFWSB-UONOGXRCSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000127463223 590676940 /nfs/dbraw/zinc/67/69/40/590676940.db2.gz LQFMMTMWZAZTMS-GXTWGEPZSA-N 1 1 248.757 3.609 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000127463474 590676599 /nfs/dbraw/zinc/67/65/99/590676599.db2.gz LQFMMTMWZAZTMS-TZMCWYRMSA-N 1 1 248.757 3.609 20 30 BHEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000127463741 590676802 /nfs/dbraw/zinc/67/68/02/590676802.db2.gz LQFMMTMWZAZTMS-JSGCOSHPSA-N 1 1 248.757 3.609 20 30 BHEDMO CC[C@H](CC#N)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000127463926 590676893 /nfs/dbraw/zinc/67/68/93/590676893.db2.gz LQFMMTMWZAZTMS-OCCSQVGLSA-N 1 1 248.757 3.609 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1cc2ccccc2s1 ZINC000127605800 384923428 /nfs/dbraw/zinc/92/34/28/384923428.db2.gz NDSCDBDCGCQPGL-UHFFFAOYSA-N 1 1 244.363 3.637 20 30 BHEDMO CC[N@H+](CCC#N)Cc1cc2ccccc2s1 ZINC000127605800 384923424 /nfs/dbraw/zinc/92/34/24/384923424.db2.gz NDSCDBDCGCQPGL-UHFFFAOYSA-N 1 1 244.363 3.637 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000127770597 411252711 /nfs/dbraw/zinc/25/27/11/411252711.db2.gz GAMJYVJJGHQXIL-UHFFFAOYSA-N 1 1 248.395 3.798 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CCCC1 ZINC000128194585 323006457 /nfs/dbraw/zinc/00/64/57/323006457.db2.gz OMMGLXFCYQSYCK-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CCCC1 ZINC000128194769 384515417 /nfs/dbraw/zinc/51/54/17/384515417.db2.gz OMMGLXFCYQSYCK-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000128195997 384515897 /nfs/dbraw/zinc/51/58/97/384515897.db2.gz MIFVPRFMXQFTOC-NEPJUHHUSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000128196217 388741433 /nfs/dbraw/zinc/74/14/33/388741433.db2.gz MIFVPRFMXQFTOC-RYUDHWBXSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000128196453 384515972 /nfs/dbraw/zinc/51/59/72/384515972.db2.gz MIFVPRFMXQFTOC-VXGBXAGGSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000128196639 323006440 /nfs/dbraw/zinc/00/64/40/323006440.db2.gz MIFVPRFMXQFTOC-NWDGAFQWSA-N 1 1 248.395 3.630 20 30 BHEDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000128345373 385155354 /nfs/dbraw/zinc/15/53/54/385155354.db2.gz WDCWXQMFZJMXND-GFCCVEGCSA-N 1 1 248.395 3.774 20 30 BHEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000128345616 385152742 /nfs/dbraw/zinc/15/27/42/385152742.db2.gz WDCWXQMFZJMXND-LBPRGKRZSA-N 1 1 248.395 3.774 20 30 BHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(C)C ZINC000128435489 385507511 /nfs/dbraw/zinc/50/75/11/385507511.db2.gz JEKLBCIICBUOBR-GFCCVEGCSA-N 1 1 248.345 3.564 20 30 BHEDMO C=CC[N@H+](Cc1cnoc1C)CC1CCCCC1 ZINC000128619390 384751093 /nfs/dbraw/zinc/75/10/93/384751093.db2.gz WIWUVGJDBTUAAR-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCC#N ZINC000128674618 385063750 /nfs/dbraw/zinc/06/37/50/385063750.db2.gz XRGQUHVJXBSLIA-INIZCTEOSA-N 1 1 244.382 3.633 20 30 BHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCCC#N ZINC000128674860 385062286 /nfs/dbraw/zinc/06/22/86/385062286.db2.gz XRGQUHVJXBSLIA-MRXNPFEDSA-N 1 1 244.382 3.633 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000128846048 386270438 /nfs/dbraw/zinc/27/04/38/386270438.db2.gz WUBGLVCPWUKRSY-GFCCVEGCSA-N 1 1 248.395 3.632 20 30 BHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000128846298 386270694 /nfs/dbraw/zinc/27/06/94/386270694.db2.gz WUBGLVCPWUKRSY-LBPRGKRZSA-N 1 1 248.395 3.632 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000128851716 350736958 /nfs/dbraw/zinc/73/69/58/350736958.db2.gz OPFVHHAYYXQRRC-GFCCVEGCSA-N 1 1 248.395 3.632 20 30 BHEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000128851947 386269030 /nfs/dbraw/zinc/26/90/30/386269030.db2.gz OPFVHHAYYXQRRC-LBPRGKRZSA-N 1 1 248.395 3.632 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000128856846 358581074 /nfs/dbraw/zinc/58/10/74/358581074.db2.gz FOFGJNZQJJTXEC-CQSZACIVSA-N 1 1 236.403 3.828 20 30 BHEDMO CC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000128857071 358581136 /nfs/dbraw/zinc/58/11/36/358581136.db2.gz FOFGJNZQJJTXEC-AWEZNQCLSA-N 1 1 236.403 3.828 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000128883081 534709940 /nfs/dbraw/zinc/70/99/40/534709940.db2.gz RVKABLCRUQJLBV-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000128884832 388801722 /nfs/dbraw/zinc/80/17/22/388801722.db2.gz KVXIVEJDWUWMNK-UHFFFAOYSA-N 1 1 243.272 3.502 20 30 BHEDMO Cc1ccc(F)cc1C[N@H+](CCC#N)CC(C)C ZINC000129153602 591260470 /nfs/dbraw/zinc/26/04/70/591260470.db2.gz VRNZLMBPXZPXBP-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1ccc(F)cc1C[N@@H+](CCC#N)CC(C)C ZINC000129153602 591260468 /nfs/dbraw/zinc/26/04/68/591260468.db2.gz VRNZLMBPXZPXBP-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000129202191 632424427 /nfs/dbraw/zinc/42/44/27/632424427.db2.gz LYOTXDYOPUFWAQ-JTQLQIEISA-N 1 1 236.746 3.540 20 30 BHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000129202396 632424076 /nfs/dbraw/zinc/42/40/76/632424076.db2.gz LYOTXDYOPUFWAQ-SNVBAGLBSA-N 1 1 236.746 3.540 20 30 BHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)s1 ZINC000129210471 631466170 /nfs/dbraw/zinc/46/61/70/631466170.db2.gz KSPNEZRWWQKYSA-QMMMGPOBSA-N 1 1 242.775 3.602 20 30 BHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)s1 ZINC000129210689 639047063 /nfs/dbraw/zinc/04/70/63/639047063.db2.gz KSPNEZRWWQKYSA-MRVPVSSYSA-N 1 1 242.775 3.602 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000129770717 591401488 /nfs/dbraw/zinc/40/14/88/591401488.db2.gz NEJWCAGLRHPBGG-LBPRGKRZSA-N 1 1 245.700 3.758 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000129770908 583578531 /nfs/dbraw/zinc/57/85/31/583578531.db2.gz NEJWCAGLRHPBGG-GFCCVEGCSA-N 1 1 245.700 3.758 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000129785683 353328305 /nfs/dbraw/zinc/32/83/05/353328305.db2.gz RCJNVHXYQGLMQV-ZDUSSCGKSA-N 1 1 238.762 3.511 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000129785909 353328706 /nfs/dbraw/zinc/32/87/06/353328706.db2.gz RCJNVHXYQGLMQV-CYBMUJFWSA-N 1 1 238.762 3.511 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000129793820 591404315 /nfs/dbraw/zinc/40/43/15/591404315.db2.gz BHQHFCGOORHSBN-LLVKDONJSA-N 1 1 239.746 3.635 20 30 BHEDMO C=C(Cl)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000129794022 591404547 /nfs/dbraw/zinc/40/45/47/591404547.db2.gz BHQHFCGOORHSBN-NSHDSACASA-N 1 1 239.746 3.635 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000129796819 353328331 /nfs/dbraw/zinc/32/83/31/353328331.db2.gz QSSSPUCBWNCDOJ-ZETCQYMHSA-N 1 1 249.663 3.507 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000129797034 353329087 /nfs/dbraw/zinc/32/90/87/353329087.db2.gz QSSSPUCBWNCDOJ-SSDOTTSWSA-N 1 1 249.663 3.507 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000129803539 591409918 /nfs/dbraw/zinc/40/99/18/591409918.db2.gz BTJLJRWUCSKLJN-LBPRGKRZSA-N 1 1 245.700 3.758 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000129803797 591410446 /nfs/dbraw/zinc/41/04/46/591410446.db2.gz BTJLJRWUCSKLJN-GFCCVEGCSA-N 1 1 245.700 3.758 20 30 BHEDMO CC(C)CC[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000129831916 387020559 /nfs/dbraw/zinc/02/05/59/387020559.db2.gz BJDAPJLANUUVEI-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)CC[N@@H+](CC(C)(C)CCC#N)C1CC1 ZINC000129834221 387029378 /nfs/dbraw/zinc/02/93/78/387029378.db2.gz LFLCMCMBOBVEBQ-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO N#Cc1csc(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000130228177 325026278 /nfs/dbraw/zinc/02/62/78/325026278.db2.gz KWVMPIIGDKFQJX-UHFFFAOYSA-N 1 1 246.379 3.527 20 30 BHEDMO CCCCCCCCC[N@@H+](C)C1CCOCC1 ZINC000130408995 591465418 /nfs/dbraw/zinc/46/54/18/591465418.db2.gz FOKRHZMJJZVCHR-UHFFFAOYSA-N 1 1 241.419 3.848 20 30 BHEDMO C=CC[N@H+](Cc1ccncc1)CC1CCCCC1 ZINC000130446933 353351895 /nfs/dbraw/zinc/35/18/95/353351895.db2.gz YDYFFUSVSHVVJQ-UHFFFAOYSA-N 1 1 244.382 3.650 20 30 BHEDMO CC(C)(C)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000130489831 385253855 /nfs/dbraw/zinc/25/38/55/385253855.db2.gz VVPUPGOGQLCPKO-UHFFFAOYSA-N 1 1 244.382 3.981 20 30 BHEDMO C=C[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000130655394 353358847 /nfs/dbraw/zinc/35/88/47/353358847.db2.gz PZGCLZXEXGHYQS-VIFPVBQESA-N 1 1 232.714 3.875 20 30 BHEDMO C=C[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000130655614 353358818 /nfs/dbraw/zinc/35/88/18/353358818.db2.gz PZGCLZXEXGHYQS-SECBINFHSA-N 1 1 232.714 3.875 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130661789 325077891 /nfs/dbraw/zinc/07/78/91/325077891.db2.gz JDBKZHLCFACJGQ-NEPJUHHUSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130661994 325078009 /nfs/dbraw/zinc/07/80/09/325078009.db2.gz JDBKZHLCFACJGQ-RYUDHWBXSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130662223 325077542 /nfs/dbraw/zinc/07/75/42/325077542.db2.gz JDBKZHLCFACJGQ-VXGBXAGGSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130662454 325077989 /nfs/dbraw/zinc/07/79/89/325077989.db2.gz JDBKZHLCFACJGQ-NWDGAFQWSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672039 325079149 /nfs/dbraw/zinc/07/91/49/325079149.db2.gz CIRIEXCRCWSHJX-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672252 323011777 /nfs/dbraw/zinc/01/17/77/323011777.db2.gz CIRIEXCRCWSHJX-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672425 325079052 /nfs/dbraw/zinc/07/90/52/325079052.db2.gz CIRIEXCRCWSHJX-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1 ZINC000130672650 325079507 /nfs/dbraw/zinc/07/95/07/325079507.db2.gz CIRIEXCRCWSHJX-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000130899098 370064897 /nfs/dbraw/zinc/06/48/97/370064897.db2.gz HHKOVKLNJBJADB-UHFFFAOYSA-N 1 1 248.395 3.632 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1nc(C)cs1 ZINC000130964789 358654356 /nfs/dbraw/zinc/65/43/56/358654356.db2.gz RKFQOSSQNJYHAH-UHFFFAOYSA-N 1 1 238.400 3.630 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131106651 353362758 /nfs/dbraw/zinc/36/27/58/353362758.db2.gz XVJJBKHVRKSEBN-AWEZNQCLSA-N 1 1 249.354 3.529 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131106846 353362461 /nfs/dbraw/zinc/36/24/61/353362461.db2.gz XVJJBKHVRKSEBN-CQSZACIVSA-N 1 1 249.354 3.529 20 30 BHEDMO C[C@@H](c1ccco1)[N@@H+](C)CC(C)(C)CCC#N ZINC000131152926 385312815 /nfs/dbraw/zinc/31/28/15/385312815.db2.gz WEVXKOMHQNOSRE-LBPRGKRZSA-N 1 1 234.343 3.602 20 30 BHEDMO C[C@H](c1ccco1)[N@@H+](C)CC(C)(C)CCC#N ZINC000131153140 385312399 /nfs/dbraw/zinc/31/23/99/385312399.db2.gz WEVXKOMHQNOSRE-GFCCVEGCSA-N 1 1 234.343 3.602 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCCC(F)(F)F ZINC000131315670 325136300 /nfs/dbraw/zinc/13/63/00/325136300.db2.gz NDILHWVPOBZOHC-UHFFFAOYSA-N 1 1 223.282 3.617 20 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/nfs/dbraw/zinc/28/87/59/326288759.db2.gz FUHCUCUUBXBFCQ-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000157693696 326291001 /nfs/dbraw/zinc/29/10/01/326291001.db2.gz QJPNVVSYWZRWKF-CQSZACIVSA-N 1 1 244.382 3.928 20 30 BHEDMO Cc1ccc([C@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000157693845 326290856 /nfs/dbraw/zinc/29/08/56/326290856.db2.gz QJPNVVSYWZRWKF-AWEZNQCLSA-N 1 1 244.382 3.928 20 30 BHEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCC#N)cc1 ZINC000157694767 326290725 /nfs/dbraw/zinc/29/07/25/326290725.db2.gz TWSINNPWIAAHTA-ZBFHGGJFSA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCC#N)cc1 ZINC000157694919 323010426 /nfs/dbraw/zinc/01/04/26/323010426.db2.gz TWSINNPWIAAHTA-GDBMZVCRSA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCC#N)cc1 ZINC000157695067 326290981 /nfs/dbraw/zinc/29/09/81/326290981.db2.gz TWSINNPWIAAHTA-HOCLYGCPSA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCC#N)cc1 ZINC000157695222 326290660 /nfs/dbraw/zinc/29/06/60/326290660.db2.gz TWSINNPWIAAHTA-GOEBONIOSA-N 1 1 242.366 3.682 20 30 BHEDMO CCCCCCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000158041425 641627421 /nfs/dbraw/zinc/62/74/21/641627421.db2.gz WYHXCLKYEQGZCF-HNNXBMFYSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000158041579 641627338 /nfs/dbraw/zinc/62/73/38/641627338.db2.gz WYHXCLKYEQGZCF-OAHLLOKOSA-N 1 1 241.419 3.705 20 30 BHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000158133895 385351269 /nfs/dbraw/zinc/35/12/69/385351269.db2.gz PQFYBUFKIAOMIF-HNNXBMFYSA-N 1 1 236.403 3.971 20 30 BHEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000158134029 385345939 /nfs/dbraw/zinc/34/59/39/385345939.db2.gz PQFYBUFKIAOMIF-OAHLLOKOSA-N 1 1 236.403 3.971 20 30 BHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCCC#N ZINC000158139749 385356128 /nfs/dbraw/zinc/35/61/28/385356128.db2.gz IGENDQLKIKJYSV-AWEZNQCLSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCCC#N ZINC000158139895 385356581 /nfs/dbraw/zinc/35/65/81/385356581.db2.gz IGENDQLKIKJYSV-CQSZACIVSA-N 1 1 222.376 3.581 20 30 BHEDMO C=CC[NH+](CC=C)Cc1cnc(C2CCC2)s1 ZINC000158143019 326309889 /nfs/dbraw/zinc/30/98/89/326309889.db2.gz LNOYCMVCWBLPKQ-UHFFFAOYSA-N 1 1 248.395 3.585 20 30 BHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CCCC#N)o1 ZINC000158630687 384263840 /nfs/dbraw/zinc/26/38/40/384263840.db2.gz XTKKMDSZNBYUNO-CQSZACIVSA-N 1 1 246.354 3.809 20 30 BHEDMO CC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000158698525 326337844 /nfs/dbraw/zinc/33/78/44/326337844.db2.gz NCSRLEGKHMXQLB-UHFFFAOYSA-N 1 1 244.382 3.838 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000158763549 632485765 /nfs/dbraw/zinc/48/57/65/632485765.db2.gz ISORJEMXNGAITQ-HUUCEWRRSA-N 1 1 241.419 3.582 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000158763702 641649888 /nfs/dbraw/zinc/64/98/88/641649888.db2.gz ISORJEMXNGAITQ-CABCVRRESA-N 1 1 241.419 3.582 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cnc(C(C)C)s1 ZINC000158990635 326347636 /nfs/dbraw/zinc/34/76/36/326347636.db2.gz QYZCWGPLBNHJJM-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc2ncccc2c1 ZINC000158998264 326347565 /nfs/dbraw/zinc/34/75/65/326347565.db2.gz OVDBCVPZBBONLD-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cccc2[nH]ccc21 ZINC000159013292 326348146 /nfs/dbraw/zinc/34/81/46/326348146.db2.gz SQDWLCBARYJNEM-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)C1CCCC1 ZINC000159139672 348432618 /nfs/dbraw/zinc/43/26/18/348432618.db2.gz NDLIVHQGCUSLPP-UHFFFAOYSA-N 1 1 248.395 3.773 20 30 BHEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)C1CCCCC1 ZINC000159768804 188158499 /nfs/dbraw/zinc/15/84/99/188158499.db2.gz LIXYCHGEMYNDKA-UHFFFAOYSA-N 1 1 246.354 3.694 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000159793642 350997515 /nfs/dbraw/zinc/99/75/15/350997515.db2.gz FCDVVTIOVXHACH-OKILXGFUSA-N 1 1 242.366 3.630 20 30 BHEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)C(C)C ZINC000160435470 323066415 /nfs/dbraw/zinc/06/64/15/323066415.db2.gz GKPBYPDMKNYVMY-LBPRGKRZSA-N 1 1 248.345 3.564 20 30 BHEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)C(C)C ZINC000160435634 323066451 /nfs/dbraw/zinc/06/64/51/323066451.db2.gz GKPBYPDMKNYVMY-GFCCVEGCSA-N 1 1 248.345 3.564 20 30 BHEDMO C[N@@H+](Cc1cccc(F)c1)CC(C)(C)CCC#N ZINC000160473993 384414640 /nfs/dbraw/zinc/41/46/40/384414640.db2.gz YMYCTMVMCSPWMM-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO Cc1ccccc1C[N@H+](C)CC(C)(C)CCC#N ZINC000160530250 384418114 /nfs/dbraw/zinc/41/81/14/384418114.db2.gz CVQYSXRGIIHXIC-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO CC#CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000160564925 388074441 /nfs/dbraw/zinc/07/44/41/388074441.db2.gz UHAOVOSMKQBRRG-VIFPVBQESA-N 1 1 242.149 3.667 20 30 BHEDMO CC#CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000160565059 388074777 /nfs/dbraw/zinc/07/47/77/388074777.db2.gz UHAOVOSMKQBRRG-SECBINFHSA-N 1 1 242.149 3.667 20 30 BHEDMO C[N@@H+](Cc1ccccc1F)CC(C)(C)CCC#N ZINC000160732916 384429459 /nfs/dbraw/zinc/42/94/59/384429459.db2.gz RTJZDXDQYAIXMD-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000160961845 349343656 /nfs/dbraw/zinc/34/36/56/349343656.db2.gz MXWVNDSTROMJPI-HNNXBMFYSA-N 1 1 246.329 3.656 20 30 BHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000160962000 349344281 /nfs/dbraw/zinc/34/42/81/349344281.db2.gz MXWVNDSTROMJPI-OAHLLOKOSA-N 1 1 246.329 3.656 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000161100899 711810600 /nfs/dbraw/zinc/81/06/00/711810600.db2.gz KUIXPYQDVTXEGD-LBPRGKRZSA-N 1 1 235.758 3.746 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000161101000 711810587 /nfs/dbraw/zinc/81/05/87/711810587.db2.gz KUIXPYQDVTXEGD-GFCCVEGCSA-N 1 1 235.758 3.746 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000161101185 711810708 /nfs/dbraw/zinc/81/07/08/711810708.db2.gz RSURJADVUKLIEK-LBPRGKRZSA-N 1 1 235.758 3.746 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000161101299 711810631 /nfs/dbraw/zinc/81/06/31/711810631.db2.gz RSURJADVUKLIEK-GFCCVEGCSA-N 1 1 235.758 3.746 20 30 BHEDMO C#CCCC[N@H+](CCC(C)C)C1CCCC1 ZINC000161110071 711569240 /nfs/dbraw/zinc/56/92/40/711569240.db2.gz GCXSPZHEAKKJCR-UHFFFAOYSA-N 1 1 221.388 3.691 20 30 BHEDMO C#CCCC[N@@H+](CC(C)C)C(CC)CC ZINC000161137277 711810627 /nfs/dbraw/zinc/81/06/27/711810627.db2.gz BHNSMXIVVALWIC-UHFFFAOYSA-N 1 1 209.377 3.546 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000161732390 632909680 /nfs/dbraw/zinc/90/96/80/632909680.db2.gz AGHRWAIIBSWCAT-QMMMGPOBSA-N 1 1 248.128 3.882 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000161732523 632907464 /nfs/dbraw/zinc/90/74/64/632907464.db2.gz AGHRWAIIBSWCAT-MRVPVSSYSA-N 1 1 248.128 3.882 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000161743443 632398828 /nfs/dbraw/zinc/39/88/28/632398828.db2.gz XUGHASMOXQGDQY-QMMMGPOBSA-N 1 1 248.128 3.882 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000161743580 632915168 /nfs/dbraw/zinc/91/51/68/632915168.db2.gz XUGHASMOXQGDQY-MRVPVSSYSA-N 1 1 248.128 3.882 20 30 BHEDMO CC(C)Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161748545 349499499 /nfs/dbraw/zinc/49/94/99/349499499.db2.gz JGTOCJHNZIEMNV-AWEZNQCLSA-N 1 1 244.382 3.619 20 30 BHEDMO CC(C)Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161748545 349499498 /nfs/dbraw/zinc/49/94/98/349499498.db2.gz JGTOCJHNZIEMNV-AWEZNQCLSA-N 1 1 244.382 3.619 20 30 BHEDMO CC(C)Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000161748717 349499741 /nfs/dbraw/zinc/49/97/41/349499741.db2.gz JGTOCJHNZIEMNV-CQSZACIVSA-N 1 1 244.382 3.619 20 30 BHEDMO CC(C)Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000161748717 349499735 /nfs/dbraw/zinc/49/97/35/349499735.db2.gz JGTOCJHNZIEMNV-CQSZACIVSA-N 1 1 244.382 3.619 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161757092 711617944 /nfs/dbraw/zinc/61/79/44/711617944.db2.gz ONBBKFLPMIYQRM-QMMMGPOBSA-N 1 1 248.128 3.882 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000161757194 711617503 /nfs/dbraw/zinc/61/75/03/711617503.db2.gz ONBBKFLPMIYQRM-MRVPVSSYSA-N 1 1 248.128 3.882 20 30 BHEDMO Cc1cc(F)ccc1C[N@H+](CCC#N)CC(C)C ZINC000162442632 634154205 /nfs/dbraw/zinc/15/42/05/634154205.db2.gz OCCLHVDYTCPOGD-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(F)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000162442632 634154203 /nfs/dbraw/zinc/15/42/03/634154203.db2.gz OCCLHVDYTCPOGD-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162855682 371868579 /nfs/dbraw/zinc/86/85/79/371868579.db2.gz GJTFWSNCZJGLFC-LLVKDONJSA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162855803 371868394 /nfs/dbraw/zinc/86/83/94/371868394.db2.gz GJTFWSNCZJGLFC-NSHDSACASA-N 1 1 248.757 3.586 20 30 BHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000162863830 202084016 /nfs/dbraw/zinc/08/40/16/202084016.db2.gz CKTBUMURQBLHCJ-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162864222 371871102 /nfs/dbraw/zinc/87/11/02/371871102.db2.gz KOKJRXXAPUZDED-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872433 371873540 /nfs/dbraw/zinc/87/35/40/371873540.db2.gz BIXQALVKCVOOMQ-CYBMUJFWSA-N 1 1 248.757 3.586 20 30 BHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872531 371873260 /nfs/dbraw/zinc/87/32/60/371873260.db2.gz BIXQALVKCVOOMQ-ZDUSSCGKSA-N 1 1 248.757 3.586 20 30 BHEDMO CC1(C)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162905367 371880846 /nfs/dbraw/zinc/88/08/46/371880846.db2.gz AREPOKATMQRWGV-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1F ZINC000163182254 636189359 /nfs/dbraw/zinc/18/93/59/636189359.db2.gz DKVZJWHOVJHUQS-LBPRGKRZSA-N 1 1 227.710 3.619 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](CC)c1ccccc1F ZINC000163182391 636189019 /nfs/dbraw/zinc/18/90/19/636189019.db2.gz DKVZJWHOVJHUQS-GFCCVEGCSA-N 1 1 227.710 3.619 20 30 BHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000163913744 640429088 /nfs/dbraw/zinc/42/90/88/640429088.db2.gz JBGBGZWDTUBSDS-JTQLQIEISA-N 1 1 236.746 3.540 20 30 BHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000163913849 640428490 /nfs/dbraw/zinc/42/84/90/640428490.db2.gz JBGBGZWDTUBSDS-SNVBAGLBSA-N 1 1 236.746 3.540 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1CCCCC1 ZINC000165432095 343331197 /nfs/dbraw/zinc/33/11/97/343331197.db2.gz BHIJOTSAEAWTGI-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165437632 343330572 /nfs/dbraw/zinc/33/05/72/343330572.db2.gz NAVIXPCZROBEFR-MRXNPFEDSA-N 1 1 242.366 3.631 20 30 BHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165437770 343330821 /nfs/dbraw/zinc/33/08/21/343330821.db2.gz NAVIXPCZROBEFR-INIZCTEOSA-N 1 1 242.366 3.631 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)C1CCCC1 ZINC000165441429 343332884 /nfs/dbraw/zinc/33/28/84/343332884.db2.gz OEJBLBGFMMBXBX-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000165455422 343352174 /nfs/dbraw/zinc/35/21/74/343352174.db2.gz SUZOLFLBXSFKHI-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@H+](CC(C)C)C(C)C ZINC000165463949 343390146 /nfs/dbraw/zinc/39/01/46/343390146.db2.gz VUVBVIVOTGEENV-UHFFFAOYSA-N 1 1 244.382 3.733 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000165466583 343391207 /nfs/dbraw/zinc/39/12/07/343391207.db2.gz XUMMMFJLCNUFKH-ZDUSSCGKSA-N 1 1 244.382 3.733 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000165466721 343390431 /nfs/dbraw/zinc/39/04/31/343390431.db2.gz XUMMMFJLCNUFKH-CYBMUJFWSA-N 1 1 244.382 3.733 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@@H]1C ZINC000165485924 353356634 /nfs/dbraw/zinc/35/66/34/353356634.db2.gz WKDTYPMTLUDHBC-AWEZNQCLSA-N 1 1 242.366 3.631 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@H]1C ZINC000165486057 343449061 /nfs/dbraw/zinc/44/90/61/343449061.db2.gz WKDTYPMTLUDHBC-CQSZACIVSA-N 1 1 242.366 3.631 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165494496 343483413 /nfs/dbraw/zinc/48/34/13/343483413.db2.gz DRFNECZRAUESHZ-CYBMUJFWSA-N 1 1 244.382 3.735 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000165494635 343483397 /nfs/dbraw/zinc/48/33/97/343483397.db2.gz DRFNECZRAUESHZ-ZDUSSCGKSA-N 1 1 244.382 3.735 20 30 BHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1C ZINC000165502924 409874471 /nfs/dbraw/zinc/87/44/71/409874471.db2.gz USLORBIIQGAPJT-XJKSGUPXSA-N 1 1 242.366 3.630 20 30 BHEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1C ZINC000165503042 409875691 /nfs/dbraw/zinc/87/56/91/409875691.db2.gz USLORBIIQGAPJT-BBRMVZONSA-N 1 1 242.366 3.630 20 30 BHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1C ZINC000165503179 409876426 /nfs/dbraw/zinc/87/64/26/409876426.db2.gz USLORBIIQGAPJT-CZUORRHYSA-N 1 1 242.366 3.630 20 30 BHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1C ZINC000165503303 409875366 /nfs/dbraw/zinc/87/53/66/409875366.db2.gz USLORBIIQGAPJT-CJNGLKHVSA-N 1 1 242.366 3.630 20 30 BHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000166713080 206142932 /nfs/dbraw/zinc/14/29/32/206142932.db2.gz PKAIMEXIDIAKDO-RDBSUJKOSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000166713294 206141242 /nfs/dbraw/zinc/14/12/42/206141242.db2.gz PKAIMEXIDIAKDO-MCIONIFRSA-N 1 1 236.403 3.683 20 30 BHEDMO C=CC[N@H+](CCCCC)Cc1ccccc1 ZINC000168259178 345723261 /nfs/dbraw/zinc/72/32/61/345723261.db2.gz BXEVOSQLADILAM-UHFFFAOYSA-N 1 1 217.356 3.865 20 30 BHEDMO CC[C@H]([NH2+][C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000170806638 388466893 /nfs/dbraw/zinc/46/68/93/388466893.db2.gz ZJOIESOKAWMIAQ-GWCFXTLKSA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000170806642 388466506 /nfs/dbraw/zinc/46/65/06/388466506.db2.gz ZJOIESOKAWMIAQ-GXFFZTMASA-N 1 1 236.746 3.683 20 30 BHEDMO CC[C@H]([NH2+][C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000170806646 388466737 /nfs/dbraw/zinc/46/67/37/388466737.db2.gz ZJOIESOKAWMIAQ-MFKMUULPSA-N 1 1 236.746 3.683 20 30 BHEDMO 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ZINC000174867158 527760412 /nfs/dbraw/zinc/76/04/12/527760412.db2.gz YWMBGXBGOPSAQR-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO C=CCCCCC[N@H+](C)CCCC(C)(C)C#N ZINC000174871601 527128503 /nfs/dbraw/zinc/12/85/03/527128503.db2.gz WAPBPYGISFZFNZ-UHFFFAOYSA-N 1 1 236.403 3.995 20 30 BHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174874165 533825942 /nfs/dbraw/zinc/82/59/42/533825942.db2.gz VACZUMXOOQVGAP-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174874175 229396954 /nfs/dbraw/zinc/39/69/54/229396954.db2.gz VACZUMXOOQVGAP-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174874186 533732256 /nfs/dbraw/zinc/73/22/56/533732256.db2.gz VACZUMXOOQVGAP-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000174874199 533823087 /nfs/dbraw/zinc/82/30/87/533823087.db2.gz VACZUMXOOQVGAP-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000174875800 534980642 /nfs/dbraw/zinc/98/06/42/534980642.db2.gz JEHLEFFYLGMKOZ-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO CC(C)CC[N@H+](CCC#N)CCCC(C)(C)C#N ZINC000174876121 527715869 /nfs/dbraw/zinc/71/58/69/527715869.db2.gz OUCYBXLSEWFSAX-UHFFFAOYSA-N 1 1 249.402 3.578 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174879467 529395354 /nfs/dbraw/zinc/39/53/54/529395354.db2.gz VNGQJUWPNMGMSQ-OAHLLOKOSA-N 1 1 236.403 3.828 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174879481 529523912 /nfs/dbraw/zinc/52/39/12/529523912.db2.gz VNGQJUWPNMGMSQ-HNNXBMFYSA-N 1 1 236.403 3.828 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC2(CCCC2)C1 ZINC000174880141 534980406 /nfs/dbraw/zinc/98/04/06/534980406.db2.gz ZDRGRCVZQTZRMU-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CC(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174883117 528389270 /nfs/dbraw/zinc/38/92/70/528389270.db2.gz CKUWQJPCWIFNRX-AWEZNQCLSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174883132 528595782 /nfs/dbraw/zinc/59/57/82/528595782.db2.gz CKUWQJPCWIFNRX-CQSZACIVSA-N 1 1 236.403 3.684 20 30 BHEDMO CCCCCCC[N@@H+](C)Cc1nccs1 ZINC000175106734 384869894 /nfs/dbraw/zinc/86/98/94/384869894.db2.gz AOTCVVGDRQYYMA-UHFFFAOYSA-N 1 1 226.389 3.545 20 30 BHEDMO CCCCCCC[N@H+](C)Cc1nccs1 ZINC000175106734 384869890 /nfs/dbraw/zinc/86/98/90/384869890.db2.gz AOTCVVGDRQYYMA-UHFFFAOYSA-N 1 1 226.389 3.545 20 30 BHEDMO C[N@@H+](CCCCC#N)Cc1cc2ccccc2o1 ZINC000175184584 384880300 /nfs/dbraw/zinc/88/03/00/384880300.db2.gz DVZBQFFMWPOREZ-UHFFFAOYSA-N 1 1 242.322 3.558 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000176426539 533506304 /nfs/dbraw/zinc/50/63/04/533506304.db2.gz QOECVQZPVJCFHP-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000176449458 365763407 /nfs/dbraw/zinc/76/34/07/365763407.db2.gz MTJWKJFVWGUPHK-LBPRGKRZSA-N 1 1 223.385 3.577 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000176449473 365763472 /nfs/dbraw/zinc/76/34/72/365763472.db2.gz MTJWKJFVWGUPHK-GFCCVEGCSA-N 1 1 223.385 3.577 20 30 BHEDMO CC(C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000176808044 384780823 /nfs/dbraw/zinc/78/08/23/384780823.db2.gz IYPFECWCCSHFCO-UHFFFAOYSA-N 1 1 248.345 3.564 20 30 BHEDMO CC[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931614 535511196 /nfs/dbraw/zinc/51/11/96/535511196.db2.gz BYVQJZSYFKQMMW-CYBMUJFWSA-N 1 1 242.366 3.569 20 30 BHEDMO CC[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931628 134294878 /nfs/dbraw/zinc/29/48/78/134294878.db2.gz BYVQJZSYFKQMMW-ZDUSSCGKSA-N 1 1 242.366 3.569 20 30 BHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000176995312 384837623 /nfs/dbraw/zinc/83/76/23/384837623.db2.gz QYGGMICFHKDWSW-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000177016968 384845704 /nfs/dbraw/zinc/84/57/04/384845704.db2.gz HBTGZPJXYXRLSW-UHFFFAOYSA-N 1 1 247.769 3.564 20 30 BHEDMO CC(C)C[N@@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000177264124 346595692 /nfs/dbraw/zinc/59/56/92/346595692.db2.gz HHXWQNTYJMNVKT-UHFFFAOYSA-N 1 1 248.345 3.564 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000177267250 187227816 /nfs/dbraw/zinc/22/78/16/187227816.db2.gz JTXNVJRQBLQZHS-AWEZNQCLSA-N 1 1 232.371 3.821 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000177267269 187228114 /nfs/dbraw/zinc/22/81/14/187228114.db2.gz JTXNVJRQBLQZHS-CQSZACIVSA-N 1 1 232.371 3.821 20 30 BHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000177544716 134298811 /nfs/dbraw/zinc/29/88/11/134298811.db2.gz HYIRPKWVXJFYMM-GDBMZVCRSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000177544726 134298799 /nfs/dbraw/zinc/29/87/99/134298799.db2.gz HYIRPKWVXJFYMM-GOEBONIOSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000177544737 346932010 /nfs/dbraw/zinc/93/20/10/346932010.db2.gz HYIRPKWVXJFYMM-ZBFHGGJFSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000177544753 134299022 /nfs/dbraw/zinc/29/90/22/134299022.db2.gz HYIRPKWVXJFYMM-HOCLYGCPSA-N 1 1 242.366 3.558 20 30 BHEDMO C=CC[N@H+](CCCF)Cc1ccc(Cl)s1 ZINC000178256803 388497260 /nfs/dbraw/zinc/49/72/60/388497260.db2.gz OGQAMAUQDNSAHF-UHFFFAOYSA-N 1 1 247.766 3.749 20 30 BHEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178372602 634040826 /nfs/dbraw/zinc/04/08/26/634040826.db2.gz ZAFJYIQWHGTBEQ-NSHDSACASA-N 1 1 239.746 3.528 20 30 BHEDMO C=C(Cl)C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178372602 634040819 /nfs/dbraw/zinc/04/08/19/634040819.db2.gz ZAFJYIQWHGTBEQ-NSHDSACASA-N 1 1 239.746 3.528 20 30 BHEDMO C=C(Cl)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178372616 631525240 /nfs/dbraw/zinc/52/52/40/631525240.db2.gz ZAFJYIQWHGTBEQ-LLVKDONJSA-N 1 1 239.746 3.528 20 30 BHEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178372616 631525236 /nfs/dbraw/zinc/52/52/36/631525236.db2.gz ZAFJYIQWHGTBEQ-LLVKDONJSA-N 1 1 239.746 3.528 20 30 BHEDMO C=CCCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178373411 388499963 /nfs/dbraw/zinc/49/99/63/388499963.db2.gz OTXQXPZSCAFDBS-ZDUSSCGKSA-N 1 1 233.355 3.741 20 30 BHEDMO C=CCCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178373424 388499853 /nfs/dbraw/zinc/49/98/53/388499853.db2.gz OTXQXPZSCAFDBS-CYBMUJFWSA-N 1 1 233.355 3.741 20 30 BHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000178674083 366154388 /nfs/dbraw/zinc/15/43/88/366154388.db2.gz QQMFJRVXHUGXJO-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179496408 384895607 /nfs/dbraw/zinc/89/56/07/384895607.db2.gz FGBRACRZIZNIEJ-LLVKDONJSA-N 1 1 248.395 3.629 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179496418 384895544 /nfs/dbraw/zinc/89/55/44/384895544.db2.gz FGBRACRZIZNIEJ-NSHDSACASA-N 1 1 248.395 3.629 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000179496774 384896468 /nfs/dbraw/zinc/89/64/68/384896468.db2.gz UTPOYDQSOQPHSN-LLVKDONJSA-N 1 1 248.395 3.629 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000179496783 384895930 /nfs/dbraw/zinc/89/59/30/384895930.db2.gz UTPOYDQSOQPHSN-NSHDSACASA-N 1 1 248.395 3.629 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000179511515 385378530 /nfs/dbraw/zinc/37/85/30/385378530.db2.gz VDERLADAWNWUJE-CQSZACIVSA-N 1 1 236.403 3.971 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000179511524 385378291 /nfs/dbraw/zinc/37/82/91/385378291.db2.gz VDERLADAWNWUJE-AWEZNQCLSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1cncnc1 ZINC000179542903 642723724 /nfs/dbraw/zinc/72/37/24/642723724.db2.gz WGFUCHMIKAFXLT-UHFFFAOYSA-N 1 1 249.402 3.659 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1O ZINC000179577002 642728363 /nfs/dbraw/zinc/72/83/63/642728363.db2.gz OWIZJPJVOJNWJQ-UHFFFAOYSA-N 1 1 233.355 3.570 20 30 BHEDMO C[N@@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000179647351 384323473 /nfs/dbraw/zinc/32/34/73/384323473.db2.gz VIGVPCBCJJHESY-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO CC(C)C[N@@H+](CC(C)(C)CCC#N)C(C)C ZINC000179703887 535030074 /nfs/dbraw/zinc/03/00/74/535030074.db2.gz YMZVNCZJVOJYLB-UHFFFAOYSA-N 1 1 224.392 3.683 20 30 BHEDMO CC1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000179718560 385035489 /nfs/dbraw/zinc/03/54/89/385035489.db2.gz QOOUUVDAUSZKOW-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO CC1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000179718954 384334957 /nfs/dbraw/zinc/33/49/57/384334957.db2.gz HGPKTIZEPVRIHU-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000179760851 134323434 /nfs/dbraw/zinc/32/34/34/134323434.db2.gz NKWGQLWSKUARPD-UHFFFAOYSA-N 1 1 249.402 3.642 20 30 BHEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCCCCC1 ZINC000179794130 384356653 /nfs/dbraw/zinc/35/66/53/384356653.db2.gz KCBMOHHUANFSFG-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO C[N@H+](Cc1ccc(C#N)s1)CC1CCCCC1 ZINC000179936924 259305597 /nfs/dbraw/zinc/30/55/97/259305597.db2.gz DRXVFBWAFRAVEO-UHFFFAOYSA-N 1 1 248.395 3.632 20 30 BHEDMO C[N@H+](Cc1cc(C#N)cs1)CC1CCCCC1 ZINC000179937107 259305670 /nfs/dbraw/zinc/30/56/70/259305670.db2.gz XJSLUDLPJRELHK-UHFFFAOYSA-N 1 1 248.395 3.632 20 30 BHEDMO C[N@@H+](CC1CCCCC1)CC(C)(C)CCC#N ZINC000179937231 259305919 /nfs/dbraw/zinc/30/59/19/259305919.db2.gz PZEAMMDLNZBSEE-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CC(C)CC[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000180023249 385346021 /nfs/dbraw/zinc/34/60/21/385346021.db2.gz XAJZBMNNVLLBCT-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045411 385375392 /nfs/dbraw/zinc/37/53/92/385375392.db2.gz QLNCTUVLUHYLPQ-YPMHNXCESA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045432 385374118 /nfs/dbraw/zinc/37/41/18/385374118.db2.gz QLNCTUVLUHYLPQ-AAEUAGOBSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045444 385375448 /nfs/dbraw/zinc/37/54/48/385375448.db2.gz QLNCTUVLUHYLPQ-DGCLKSJQSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000180045461 385374129 /nfs/dbraw/zinc/37/41/29/385374129.db2.gz QLNCTUVLUHYLPQ-WCQYABFASA-N 1 1 248.395 3.630 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ncc(C)s1 ZINC000180506097 134329596 /nfs/dbraw/zinc/32/95/96/134329596.db2.gz RLHDIMDBFDAVAE-UHFFFAOYSA-N 1 1 238.400 3.630 20 30 BHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)[C@H]2CCCC[C@H]12 ZINC000180764548 344845002 /nfs/dbraw/zinc/84/50/02/344845002.db2.gz XCJZUTNGRDUACF-KFWWJZLASA-N 1 1 248.414 3.827 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc2ccccc2o1 ZINC000180940057 386312377 /nfs/dbraw/zinc/31/23/77/386312377.db2.gz STUXZWGPCQPQDS-LBPRGKRZSA-N 1 1 244.338 3.787 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc2ccccc2o1 ZINC000180940073 386312820 /nfs/dbraw/zinc/31/28/20/386312820.db2.gz STUXZWGPCQPQDS-GFCCVEGCSA-N 1 1 244.338 3.787 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181116882 353420758 /nfs/dbraw/zinc/42/07/58/353420758.db2.gz DJGHYAFMVKDRJG-LBPRGKRZSA-N 1 1 244.338 3.787 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000181116898 534714349 /nfs/dbraw/zinc/71/43/49/534714349.db2.gz DJGHYAFMVKDRJG-GFCCVEGCSA-N 1 1 244.338 3.787 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000181266559 384474675 /nfs/dbraw/zinc/47/46/75/384474675.db2.gz YLUUVQRVTJFETK-UHFFFAOYSA-N 1 1 240.350 3.551 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000181323520 384485729 /nfs/dbraw/zinc/48/57/29/384485729.db2.gz KIZPFEQCYOUMCU-CYBMUJFWSA-N 1 1 203.329 3.564 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000181323537 384486253 /nfs/dbraw/zinc/48/62/53/384486253.db2.gz KIZPFEQCYOUMCU-ZDUSSCGKSA-N 1 1 203.329 3.564 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323638 384486172 /nfs/dbraw/zinc/48/61/72/384486172.db2.gz VSKDVOXLTGLRHA-NSHDSACASA-N 1 1 236.359 3.541 20 30 BHEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323638 384486165 /nfs/dbraw/zinc/48/61/65/384486165.db2.gz VSKDVOXLTGLRHA-NSHDSACASA-N 1 1 236.359 3.541 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323657 384484314 /nfs/dbraw/zinc/48/43/14/384484314.db2.gz VSKDVOXLTGLRHA-LLVKDONJSA-N 1 1 236.359 3.541 20 30 BHEDMO C=C(C)C[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323657 384484308 /nfs/dbraw/zinc/48/43/08/384484308.db2.gz VSKDVOXLTGLRHA-LLVKDONJSA-N 1 1 236.359 3.541 20 30 BHEDMO CCCCCCC[N@@H+](C)CCc1ccncc1 ZINC000181442705 711697968 /nfs/dbraw/zinc/69/79/68/711697968.db2.gz XNCKUIZPKIWFDU-UHFFFAOYSA-N 1 1 234.387 3.526 20 30 BHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000182493060 366910947 /nfs/dbraw/zinc/91/09/47/366910947.db2.gz LZZOMSZWIHZJAV-KFWWJZLASA-N 1 1 248.414 3.827 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000182629235 643047015 /nfs/dbraw/zinc/04/70/15/643047015.db2.gz VMYSCQORCRKSIO-UHFFFAOYSA-N 1 1 241.334 3.553 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ncc(C(C)C)s1 ZINC000182944671 366960255 /nfs/dbraw/zinc/96/02/55/366960255.db2.gz TVNRRXYDNDFYFQ-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=C(C)C[N@@H+](CC)Cc1ncc(C(C)C)s1 ZINC000182944671 366960253 /nfs/dbraw/zinc/96/02/53/366960253.db2.gz TVNRRXYDNDFYFQ-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000182952501 366961199 /nfs/dbraw/zinc/96/11/99/366961199.db2.gz WZKLYEMVZDVDNL-LBPRGKRZSA-N 1 1 223.385 3.577 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000182952526 366961268 /nfs/dbraw/zinc/96/12/68/366961268.db2.gz WZKLYEMVZDVDNL-GFCCVEGCSA-N 1 1 223.385 3.577 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cccc2cnccc21 ZINC000182952603 538965477 /nfs/dbraw/zinc/96/54/77/538965477.db2.gz FYNOGLZCXDGNLG-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000183087200 366975868 /nfs/dbraw/zinc/97/58/68/366975868.db2.gz VUZYUEGAKAMNOE-UHFFFAOYSA-N 1 1 238.400 3.665 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc2cnccc21 ZINC000183336850 538966491 /nfs/dbraw/zinc/96/64/91/538966491.db2.gz WMRNZWUDVDFUPD-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183994638 134355775 /nfs/dbraw/zinc/35/57/75/134355775.db2.gz HHGQPIWWFAQAFM-UHFFFAOYSA-N 1 1 225.282 3.632 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000184232052 367070233 /nfs/dbraw/zinc/07/02/33/367070233.db2.gz AGSMYBAUJKPJOY-CYBMUJFWSA-N 1 1 248.395 3.774 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000184232068 367070526 /nfs/dbraw/zinc/07/05/26/367070526.db2.gz AGSMYBAUJKPJOY-ZDUSSCGKSA-N 1 1 248.395 3.774 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000184234050 367070756 /nfs/dbraw/zinc/07/07/56/367070756.db2.gz BFPGVNKXPUZQJD-GFCCVEGCSA-N 1 1 248.395 3.774 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000184234071 367070310 /nfs/dbraw/zinc/07/03/10/367070310.db2.gz BFPGVNKXPUZQJD-LBPRGKRZSA-N 1 1 248.395 3.774 20 30 BHEDMO C=C(C)C[N@@H+](CCC)CCc1cccs1 ZINC000184505628 388577806 /nfs/dbraw/zinc/57/78/06/388577806.db2.gz TYRYKGOIPWOROU-UHFFFAOYSA-N 1 1 223.385 3.579 20 30 BHEDMO CC/C=C/CC[N@@H+](CCC#N)CC(C)(C)C ZINC000184568677 388579978 /nfs/dbraw/zinc/57/99/78/388579978.db2.gz BNMRGYQXENHUBV-VOTSOKGWSA-N 1 1 222.376 3.604 20 30 BHEDMO C=C(C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184865156 135657154 /nfs/dbraw/zinc/65/71/54/135657154.db2.gz FGLGBLUIDZGEJD-LBPRGKRZSA-N 1 1 242.322 3.568 20 30 BHEDMO C=C(C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184865175 353718619 /nfs/dbraw/zinc/71/86/19/353718619.db2.gz FGLGBLUIDZGEJD-GFCCVEGCSA-N 1 1 242.322 3.568 20 30 BHEDMO C=C(C)C[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185563494 388588577 /nfs/dbraw/zinc/58/85/77/388588577.db2.gz CGHPOCXPWGZKRC-UHFFFAOYSA-N 1 1 249.320 3.863 20 30 BHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCCC#N ZINC000185797028 398091692 /nfs/dbraw/zinc/09/16/92/398091692.db2.gz QKWCTKZUMLKXST-MRXNPFEDSA-N 1 1 242.366 3.517 20 30 BHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCCCC#N ZINC000185797044 398091535 /nfs/dbraw/zinc/09/15/35/398091535.db2.gz QKWCTKZUMLKXST-INIZCTEOSA-N 1 1 242.366 3.517 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC(C)(C)C1 ZINC000186113730 387513244 /nfs/dbraw/zinc/51/32/44/387513244.db2.gz XVTIMABSJOEAKG-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C=CCCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186178683 387074554 /nfs/dbraw/zinc/07/45/54/387074554.db2.gz OBCBWMBPRBDGCB-UHFFFAOYSA-N 1 1 227.351 3.500 20 30 BHEDMO Cc1cc(C#N)ccc1C[N@H+](C(C)C)C1CCC1 ZINC000186297051 384833504 /nfs/dbraw/zinc/83/35/04/384833504.db2.gz JZMKJLZFEVZQPU-UHFFFAOYSA-N 1 1 242.366 3.630 20 30 BHEDMO CCSc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000186420076 347233429 /nfs/dbraw/zinc/23/34/29/347233429.db2.gz UIWYUXGIMNGJJF-ZDUSSCGKSA-N 1 1 248.395 3.580 20 30 BHEDMO CCSc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000186420094 347233665 /nfs/dbraw/zinc/23/36/65/347233665.db2.gz UIWYUXGIMNGJJF-CYBMUJFWSA-N 1 1 248.395 3.580 20 30 BHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000186515564 386992588 /nfs/dbraw/zinc/99/25/88/386992588.db2.gz VAYLHQGBRLDMLA-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186562058 387003494 /nfs/dbraw/zinc/00/34/94/387003494.db2.gz PFQSUTUZGCRTAB-LLVKDONJSA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186562058 387003489 /nfs/dbraw/zinc/00/34/89/387003489.db2.gz PFQSUTUZGCRTAB-LLVKDONJSA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186562076 387002679 /nfs/dbraw/zinc/00/26/79/387002679.db2.gz PFQSUTUZGCRTAB-NSHDSACASA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186562076 387002673 /nfs/dbraw/zinc/00/26/73/387002673.db2.gz PFQSUTUZGCRTAB-NSHDSACASA-N 1 1 248.757 3.586 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)cc1C#N ZINC000186562285 398093227 /nfs/dbraw/zinc/09/32/27/398093227.db2.gz FIMGGVCXVPUGFL-UHFFFAOYSA-N 1 1 248.757 3.610 20 30 BHEDMO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)cc1C#N ZINC000186562285 398093224 /nfs/dbraw/zinc/09/32/24/398093224.db2.gz FIMGGVCXVPUGFL-UHFFFAOYSA-N 1 1 248.757 3.610 20 30 BHEDMO CC[C@@H](C[N@@H+](CC)CCCC#N)c1ccccc1 ZINC000186623291 387117026 /nfs/dbraw/zinc/11/70/26/387117026.db2.gz HEQDQUFLSDJBQW-HNNXBMFYSA-N 1 1 244.382 3.806 20 30 BHEDMO CC[C@H](C[N@@H+](CC)CCCC#N)c1ccccc1 ZINC000186623308 387117435 /nfs/dbraw/zinc/11/74/35/387117435.db2.gz HEQDQUFLSDJBQW-OAHLLOKOSA-N 1 1 244.382 3.806 20 30 BHEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186666744 387050165 /nfs/dbraw/zinc/05/01/65/387050165.db2.gz GDWDBSDGYLMTHO-UHFFFAOYSA-N 1 1 248.757 3.584 20 30 BHEDMO C=C(Cl)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186924309 643142959 /nfs/dbraw/zinc/14/29/59/643142959.db2.gz YIDDXLUDEAQGDJ-UHFFFAOYSA-N 1 1 241.787 3.680 20 30 BHEDMO CC1(C)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186942267 384091160 /nfs/dbraw/zinc/09/11/60/384091160.db2.gz VDNZJIMHEWZIHP-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO CC1(C)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186942267 384091156 /nfs/dbraw/zinc/09/11/56/384091156.db2.gz VDNZJIMHEWZIHP-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186953529 384095492 /nfs/dbraw/zinc/09/54/92/384095492.db2.gz PZQLRCYLESMBFS-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187060566 388606153 /nfs/dbraw/zinc/60/61/53/388606153.db2.gz LBPHNQPWGQBOEQ-UHFFFAOYSA-N 1 1 248.757 3.610 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187158210 384176200 /nfs/dbraw/zinc/17/62/00/384176200.db2.gz YZONMXRUSVYKHG-PHIMTYICSA-N 1 1 248.757 3.584 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187158210 384176197 /nfs/dbraw/zinc/17/61/97/384176197.db2.gz YZONMXRUSVYKHG-PHIMTYICSA-N 1 1 248.757 3.584 20 30 BHEDMO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(Cl)cc1C#N ZINC000187158230 384176220 /nfs/dbraw/zinc/17/62/20/384176220.db2.gz YZONMXRUSVYKHG-QWRGUYRKSA-N 1 1 248.757 3.584 20 30 BHEDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(Cl)cc1C#N ZINC000187158247 384176029 /nfs/dbraw/zinc/17/60/29/384176029.db2.gz YZONMXRUSVYKHG-GHMZBOCLSA-N 1 1 248.757 3.584 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000187664747 384234773 /nfs/dbraw/zinc/23/47/73/384234773.db2.gz ZSPSYRZXFUXZPO-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000187664763 205812043 /nfs/dbraw/zinc/81/20/43/205812043.db2.gz ZSPSYRZXFUXZPO-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1Cc2ccccc2C1 ZINC000187678712 384370591 /nfs/dbraw/zinc/37/05/91/384370591.db2.gz GLKKWUDGFCRKLG-ZDUSSCGKSA-N 1 1 248.329 3.635 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1Cc2ccccc2C1 ZINC000187678732 384367922 /nfs/dbraw/zinc/36/79/22/384367922.db2.gz GLKKWUDGFCRKLG-CYBMUJFWSA-N 1 1 248.329 3.635 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000187694274 384594414 /nfs/dbraw/zinc/59/44/14/384594414.db2.gz HMXIBDOKDTYDMO-RDBSUJKOSA-N 1 1 242.366 3.597 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187697273 384298774 /nfs/dbraw/zinc/29/87/74/384298774.db2.gz YZNGIADSAOBFCM-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187697291 384299086 /nfs/dbraw/zinc/29/90/86/384299086.db2.gz YZNGIADSAOBFCM-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO C=C(Cl)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000187779962 634120520 /nfs/dbraw/zinc/12/05/20/634120520.db2.gz STQMWXPQQMQWAB-LLVKDONJSA-N 1 1 243.803 3.754 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187921849 259371298 /nfs/dbraw/zinc/37/12/98/259371298.db2.gz GGGUCRVMVWFZEZ-KGLIPLIRSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@H](C)C1 ZINC000187921877 259371326 /nfs/dbraw/zinc/37/13/26/259371326.db2.gz GGGUCRVMVWFZEZ-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO CC(C)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000188082950 259373576 /nfs/dbraw/zinc/37/35/76/259373576.db2.gz SVJVNXPRCQRXLC-ZDUSSCGKSA-N 1 1 230.355 3.597 20 30 BHEDMO CC(C)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000188082973 259373338 /nfs/dbraw/zinc/37/33/38/259373338.db2.gz SVJVNXPRCQRXLC-CYBMUJFWSA-N 1 1 230.355 3.597 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000188302152 386356697 /nfs/dbraw/zinc/35/66/97/386356697.db2.gz IARQFTNVPCNYKC-UHFFFAOYSA-N 1 1 240.350 3.551 20 30 BHEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189159940 259543170 /nfs/dbraw/zinc/54/31/70/259543170.db2.gz VRMQWSPCPKZRLK-OLZOCXBDSA-N 1 1 230.355 3.597 20 30 BHEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189159962 385095314 /nfs/dbraw/zinc/09/53/14/385095314.db2.gz VRMQWSPCPKZRLK-STQMWFEESA-N 1 1 230.355 3.597 20 30 BHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189233383 385145588 /nfs/dbraw/zinc/14/55/88/385145588.db2.gz AHLRLUKYIQRNJL-UONOGXRCSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189233404 385146961 /nfs/dbraw/zinc/14/69/61/385146961.db2.gz AHLRLUKYIQRNJL-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000189343871 385155350 /nfs/dbraw/zinc/15/53/50/385155350.db2.gz DEYMRNOTCBLISD-MJBXVCDLSA-N 1 1 242.366 3.597 20 30 BHEDMO CCCC[N@@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189756231 385293962 /nfs/dbraw/zinc/29/39/62/385293962.db2.gz XGEISVYQHOVJRZ-ZDUSSCGKSA-N 1 1 230.355 3.741 20 30 BHEDMO CCCC[N@@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000189756246 385294194 /nfs/dbraw/zinc/29/41/94/385294194.db2.gz XGEISVYQHOVJRZ-CYBMUJFWSA-N 1 1 230.355 3.741 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189768922 188080743 /nfs/dbraw/zinc/08/07/43/188080743.db2.gz AFXSXRKAQGRZHJ-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000189768938 188254137 /nfs/dbraw/zinc/25/41/37/188254137.db2.gz AFXSXRKAQGRZHJ-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO CC[N@@H+](CC(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000189783012 385299392 /nfs/dbraw/zinc/29/93/92/385299392.db2.gz IEESOYMXRURMJO-ZDUSSCGKSA-N 1 1 230.355 3.597 20 30 BHEDMO CC[N@@H+](CC(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000189783037 385298657 /nfs/dbraw/zinc/29/86/57/385298657.db2.gz IEESOYMXRURMJO-CYBMUJFWSA-N 1 1 230.355 3.597 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000189810854 385306626 /nfs/dbraw/zinc/30/66/26/385306626.db2.gz LQYUDHUXZSLHEX-KGLIPLIRSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C)CC1 ZINC000189810871 385306337 /nfs/dbraw/zinc/30/63/37/385306337.db2.gz LQYUDHUXZSLHEX-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189852672 166235085 /nfs/dbraw/zinc/23/50/85/166235085.db2.gz QLUZGXQQURVXMD-ZDUSSCGKSA-N 1 1 236.384 3.555 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189852692 166234231 /nfs/dbraw/zinc/23/42/31/166234231.db2.gz QLUZGXQQURVXMD-CYBMUJFWSA-N 1 1 236.384 3.555 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cncc(C)c1 ZINC000189897778 527129033 /nfs/dbraw/zinc/12/90/33/527129033.db2.gz NXXBWUDUBXSIJO-UHFFFAOYSA-N 1 1 232.371 3.568 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000190037875 487659701 /nfs/dbraw/zinc/65/97/01/487659701.db2.gz RYIMPDUYAWMAPC-KGLIPLIRSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@H](C)C1 ZINC000190037895 259561942 /nfs/dbraw/zinc/56/19/42/259561942.db2.gz RYIMPDUYAWMAPC-KBPBESRZSA-N 1 1 242.366 3.741 20 30 BHEDMO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190180819 388647997 /nfs/dbraw/zinc/64/79/97/388647997.db2.gz XULBCIYAPZRNNJ-NSHDSACASA-N 1 1 249.320 3.863 20 30 BHEDMO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190180839 388648913 /nfs/dbraw/zinc/64/89/13/388648913.db2.gz XULBCIYAPZRNNJ-LLVKDONJSA-N 1 1 249.320 3.863 20 30 BHEDMO N#CCCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190316228 388649300 /nfs/dbraw/zinc/64/93/00/388649300.db2.gz LCEREGLIWBMXAM-UHFFFAOYSA-N 1 1 234.387 3.727 20 30 BHEDMO CCC1(CC)CCC[N@@H+](CCCC#N)CC1 ZINC000190409342 388650817 /nfs/dbraw/zinc/65/08/17/388650817.db2.gz RJICEIKYQVRAQC-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO CCC1(CC)CCC[N@@H+](CCCCC#N)CC1 ZINC000190414604 388651216 /nfs/dbraw/zinc/65/12/16/388651216.db2.gz VWALKIVUVKFVSK-UHFFFAOYSA-N 1 1 236.403 3.973 20 30 BHEDMO CCCC1CCC([N@@H+](C)CCCC#N)CC1 ZINC000191420925 357770298 /nfs/dbraw/zinc/77/02/98/357770298.db2.gz UQCQRXRILXTIBI-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CCCC1CCC([N@@H+](C)CCCCC#N)CC1 ZINC000191426058 357770290 /nfs/dbraw/zinc/77/02/90/357770290.db2.gz IIQFCDAKZNWOTE-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1cocn1 ZINC000191936183 634224296 /nfs/dbraw/zinc/22/42/96/634224296.db2.gz FLFRMIXIFATPSI-UHFFFAOYSA-N 1 1 238.375 3.857 20 30 BHEDMO CCCCCCCCC[N@H+](C)Cc1cocn1 ZINC000191936183 634224290 /nfs/dbraw/zinc/22/42/90/634224290.db2.gz FLFRMIXIFATPSI-UHFFFAOYSA-N 1 1 238.375 3.857 20 30 BHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000191942183 355943725 /nfs/dbraw/zinc/94/37/25/355943725.db2.gz QTQHPRACZXTENY-UHFFFAOYSA-N 1 1 248.345 3.564 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1ncccn1 ZINC000191958588 641952802 /nfs/dbraw/zinc/95/28/02/641952802.db2.gz KTNIUBWQYVDMFS-UHFFFAOYSA-N 1 1 249.402 3.659 20 30 BHEDMO CCCCCCCCC[N@H+](C)Cc1ncccn1 ZINC000191958588 641952795 /nfs/dbraw/zinc/95/27/95/641952795.db2.gz KTNIUBWQYVDMFS-UHFFFAOYSA-N 1 1 249.402 3.659 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(C)C ZINC000191967241 357807204 /nfs/dbraw/zinc/80/72/04/357807204.db2.gz MCIVZPWETRQSHO-LBPRGKRZSA-N 1 1 248.345 3.564 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(C)C ZINC000191967248 357807222 /nfs/dbraw/zinc/80/72/22/357807222.db2.gz MCIVZPWETRQSHO-GFCCVEGCSA-N 1 1 248.345 3.564 20 30 BHEDMO C=CCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300053 365317116 /nfs/dbraw/zinc/31/71/16/365317116.db2.gz FKAKFRYIGWJCAN-UHFFFAOYSA-N 1 1 237.293 3.505 20 30 BHEDMO C=CCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300053 365317112 /nfs/dbraw/zinc/31/71/12/365317112.db2.gz FKAKFRYIGWJCAN-UHFFFAOYSA-N 1 1 237.293 3.505 20 30 BHEDMO CC(C)[N@H+](Cc1ccccc1C#N)CC1CCC1 ZINC000193202456 388799802 /nfs/dbraw/zinc/79/98/02/388799802.db2.gz FZCIJZBYUBCFKI-UHFFFAOYSA-N 1 1 242.366 3.569 20 30 BHEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CC1CCC1 ZINC000193205461 387178394 /nfs/dbraw/zinc/17/83/94/387178394.db2.gz NFUIKLRTTLBODI-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO C=CCCCCC[N@H+](CC)Cc1ccccn1 ZINC000193387469 388703624 /nfs/dbraw/zinc/70/36/24/388703624.db2.gz OHEIDLKZHLNGFJ-UHFFFAOYSA-N 1 1 232.371 3.650 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000193425932 388347824 /nfs/dbraw/zinc/34/78/24/388347824.db2.gz GSYDHUKDXZRTQY-CYBMUJFWSA-N 1 1 203.329 3.564 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000193425944 388348169 /nfs/dbraw/zinc/34/81/69/388348169.db2.gz GSYDHUKDXZRTQY-ZDUSSCGKSA-N 1 1 203.329 3.564 20 30 BHEDMO C=CCCCCC[N@H+](C(C)C)C1CCOCC1 ZINC000193430575 388704404 /nfs/dbraw/zinc/70/44/04/388704404.db2.gz SDCRZCAVYXWOGU-UHFFFAOYSA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCCCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000193453995 388705120 /nfs/dbraw/zinc/70/51/20/388705120.db2.gz XNWDHCVVQOPOHH-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO C=CCCCCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000193454249 388705115 /nfs/dbraw/zinc/70/51/15/388705115.db2.gz DFGOYNGZIQMZSP-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000193454468 388705573 /nfs/dbraw/zinc/70/55/73/388705573.db2.gz NYUIEBKXQAIHEZ-MRXNPFEDSA-N 1 1 244.382 3.965 20 30 BHEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000193454482 388705061 /nfs/dbraw/zinc/70/50/61/388705061.db2.gz NYUIEBKXQAIHEZ-INIZCTEOSA-N 1 1 244.382 3.965 20 30 BHEDMO C=CCCCCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000193467517 388705279 /nfs/dbraw/zinc/70/52/79/388705279.db2.gz URQSXGFNOZIVDD-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000193528099 367188652 /nfs/dbraw/zinc/18/86/52/367188652.db2.gz LAJCIGRDPLXRHW-ZDUSSCGKSA-N 1 1 238.334 3.574 20 30 BHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000193528099 367188650 /nfs/dbraw/zinc/18/86/50/367188650.db2.gz LAJCIGRDPLXRHW-ZDUSSCGKSA-N 1 1 238.334 3.574 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000193528116 367188852 /nfs/dbraw/zinc/18/88/52/367188852.db2.gz LAJCIGRDPLXRHW-CYBMUJFWSA-N 1 1 238.334 3.574 20 30 BHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000193528116 367188851 /nfs/dbraw/zinc/18/88/51/367188851.db2.gz LAJCIGRDPLXRHW-CYBMUJFWSA-N 1 1 238.334 3.574 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)C1CCCC1 ZINC000193544667 367189511 /nfs/dbraw/zinc/18/95/11/367189511.db2.gz MOPHZEHLNUXXGQ-UHFFFAOYSA-N 1 1 221.369 3.679 20 30 BHEDMO CC[N@@H+](CC[C@@H](C)c1ccccc1)C[C@@H](C)C#N ZINC000193761074 387804943 /nfs/dbraw/zinc/80/49/43/387804943.db2.gz XSJCPTWWHKHDCE-LSDHHAIUSA-N 1 1 244.382 3.662 20 30 BHEDMO CC[N@@H+](CC[C@H](C)c1ccccc1)C[C@@H](C)C#N ZINC000193761096 387804877 /nfs/dbraw/zinc/80/48/77/387804877.db2.gz XSJCPTWWHKHDCE-GJZGRUSLSA-N 1 1 244.382 3.662 20 30 BHEDMO C=CC[NH+](CC=C)Cc1cc(Cl)cs1 ZINC000194299788 385519480 /nfs/dbraw/zinc/51/94/80/385519480.db2.gz YPQASZAMEWEXFL-UHFFFAOYSA-N 1 1 227.760 3.576 20 30 BHEDMO C=CCCCCC[N@@H+](CC#N)C1CCCC1 ZINC000194359156 206087819 /nfs/dbraw/zinc/08/78/19/206087819.db2.gz RYGHURODIJYNNO-UHFFFAOYSA-N 1 1 220.360 3.501 20 30 BHEDMO C=CCCCCC[N@H+](CC#N)C1CCCC1 ZINC000194359156 206087816 /nfs/dbraw/zinc/08/78/16/206087816.db2.gz RYGHURODIJYNNO-UHFFFAOYSA-N 1 1 220.360 3.501 20 30 BHEDMO C=CCCCCCn1cc[nH+]c1C(C)C ZINC000194360348 206088957 /nfs/dbraw/zinc/08/89/57/206088957.db2.gz CBMKBCCTUYHSBD-UHFFFAOYSA-N 1 1 206.333 3.753 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000194425721 388732173 /nfs/dbraw/zinc/73/21/73/388732173.db2.gz VITBAUPMMZGIFH-JTQLQIEISA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000194425721 388732170 /nfs/dbraw/zinc/73/21/70/388732170.db2.gz VITBAUPMMZGIFH-JTQLQIEISA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000194425737 388731723 /nfs/dbraw/zinc/73/17/23/388731723.db2.gz VITBAUPMMZGIFH-SNVBAGLBSA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000194425737 388731720 /nfs/dbraw/zinc/73/17/20/388731720.db2.gz VITBAUPMMZGIFH-SNVBAGLBSA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000194970537 385542531 /nfs/dbraw/zinc/54/25/31/385542531.db2.gz MQBUWRHMMKFQLY-AWEZNQCLSA-N 1 1 217.356 3.516 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000194970550 388458445 /nfs/dbraw/zinc/45/84/45/388458445.db2.gz MQBUWRHMMKFQLY-CQSZACIVSA-N 1 1 217.356 3.516 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000194972431 388458524 /nfs/dbraw/zinc/45/85/24/388458524.db2.gz KRIIFDMGVKHVPC-AWEZNQCLSA-N 1 1 203.329 3.646 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](CC)c1ccccc1 ZINC000194972444 388458452 /nfs/dbraw/zinc/45/84/52/388458452.db2.gz KRIIFDMGVKHVPC-CQSZACIVSA-N 1 1 203.329 3.646 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000194985773 388458537 /nfs/dbraw/zinc/45/85/37/388458537.db2.gz MBXBDRQOANOKCS-JTQLQIEISA-N 1 1 225.282 3.534 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000194985784 388458553 /nfs/dbraw/zinc/45/85/53/388458553.db2.gz MBXBDRQOANOKCS-SNVBAGLBSA-N 1 1 225.282 3.534 20 30 BHEDMO CC(C)c1ccc([C@@H](C)[N@@H+](C)CCC#N)cc1 ZINC000194990417 367328597 /nfs/dbraw/zinc/32/85/97/367328597.db2.gz OHWBUSFXPXCXQL-CYBMUJFWSA-N 1 1 230.355 3.716 20 30 BHEDMO CC(C)c1ccc([C@@H](C)[N@H+](C)CCC#N)cc1 ZINC000194990417 367328594 /nfs/dbraw/zinc/32/85/94/367328594.db2.gz OHWBUSFXPXCXQL-CYBMUJFWSA-N 1 1 230.355 3.716 20 30 BHEDMO CC(C)c1ccc([C@H](C)[N@@H+](C)CCC#N)cc1 ZINC000194990430 367328494 /nfs/dbraw/zinc/32/84/94/367328494.db2.gz OHWBUSFXPXCXQL-ZDUSSCGKSA-N 1 1 230.355 3.716 20 30 BHEDMO CC(C)c1ccc([C@H](C)[N@H+](C)CCC#N)cc1 ZINC000194990430 367328491 /nfs/dbraw/zinc/32/84/91/367328491.db2.gz OHWBUSFXPXCXQL-ZDUSSCGKSA-N 1 1 230.355 3.716 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991550 388747714 /nfs/dbraw/zinc/74/77/14/388747714.db2.gz ZFMLFPFKBZTKMB-JTQLQIEISA-N 1 1 243.272 3.884 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991561 388748138 /nfs/dbraw/zinc/74/81/38/388748138.db2.gz ZFMLFPFKBZTKMB-SNVBAGLBSA-N 1 1 243.272 3.884 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)CC ZINC000195003851 388692439 /nfs/dbraw/zinc/69/24/39/388692439.db2.gz LJWZYLWFODYORR-LLVKDONJSA-N 1 1 209.358 3.535 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)CC ZINC000195003867 388693076 /nfs/dbraw/zinc/69/30/76/388693076.db2.gz LJWZYLWFODYORR-NSHDSACASA-N 1 1 209.358 3.535 20 30 BHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CC ZINC000195003966 350109394 /nfs/dbraw/zinc/10/93/94/350109394.db2.gz WGYUXKGLCCEEML-ZDUSSCGKSA-N 1 1 230.355 3.569 20 30 BHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CC ZINC000195003982 367330568 /nfs/dbraw/zinc/33/05/68/367330568.db2.gz WGYUXKGLCCEEML-CYBMUJFWSA-N 1 1 230.355 3.569 20 30 BHEDMO CC(C)[N@H+](Cc1ccc(C#N)s1)CC1CCC1 ZINC000195078662 388459396 /nfs/dbraw/zinc/45/93/96/388459396.db2.gz PWOVQGKLVWESOF-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)[N@H+](Cc1cc(C#N)cs1)CC1CCC1 ZINC000195079177 388459413 /nfs/dbraw/zinc/45/94/13/388459413.db2.gz WKPDJGYHNIUPDJ-UHFFFAOYSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)[N@@H+](CC1CCC1)CC(C)(C)CCC#N ZINC000195080003 388096473 /nfs/dbraw/zinc/09/64/73/388096473.db2.gz VAZFSGHZMGEEEB-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO C[N@@H+](CCCCC#N)CCCCc1ccccc1 ZINC000195234995 367350387 /nfs/dbraw/zinc/35/03/87/367350387.db2.gz HHHLCAHMSJUWII-UHFFFAOYSA-N 1 1 244.382 3.635 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1)CC1CCCC1 ZINC000195599418 388508747 /nfs/dbraw/zinc/50/87/47/388508747.db2.gz NTGWSTHNLRUYCV-UHFFFAOYSA-N 1 1 229.367 3.865 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cc(C)sc1C ZINC000195686770 388719762 /nfs/dbraw/zinc/71/97/62/388719762.db2.gz PXLVAMJQSDZVPU-UHFFFAOYSA-N 1 1 223.385 3.763 20 30 BHEDMO C=CC[N@@H+](CCc1ccccc1)CC1CCCC1 ZINC000195726781 367378823 /nfs/dbraw/zinc/37/88/23/367378823.db2.gz XQPCTDZUTBZWFZ-UHFFFAOYSA-N 1 1 243.394 3.907 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000195732453 388577942 /nfs/dbraw/zinc/57/79/42/388577942.db2.gz NOESFEGYNHLUJV-AWEZNQCLSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000195732454 388578080 /nfs/dbraw/zinc/57/80/80/388578080.db2.gz NOESFEGYNHLUJV-CQSZACIVSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1c(F)cccc1F ZINC000195732553 388720783 /nfs/dbraw/zinc/72/07/83/388720783.db2.gz NFGJJCFDALTQFN-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1c(F)cccc1F ZINC000195732553 388720779 /nfs/dbraw/zinc/72/07/79/388720779.db2.gz NFGJJCFDALTQFN-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1c(F)cccc1F ZINC000195732554 388720565 /nfs/dbraw/zinc/72/05/65/388720565.db2.gz NFGJJCFDALTQFN-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1c(F)cccc1F ZINC000195732554 388720563 /nfs/dbraw/zinc/72/05/63/388720563.db2.gz NFGJJCFDALTQFN-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccc(F)cc1F ZINC000195732914 386663438 /nfs/dbraw/zinc/66/34/38/386663438.db2.gz LRQDUBYQEFIKCV-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=CC[NH+](CC=C)Cc1ccccc1Cl ZINC000196761743 541514110 /nfs/dbraw/zinc/51/41/10/541514110.db2.gz SRMXMVSZYPHJSS-UHFFFAOYSA-N 1 1 221.731 3.514 20 30 BHEDMO CC#CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000202527452 359372650 /nfs/dbraw/zinc/37/26/50/359372650.db2.gz PRVMBRKCGNIWHQ-UHFFFAOYSA-N 1 1 247.341 3.693 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000213415184 388389001 /nfs/dbraw/zinc/38/90/01/388389001.db2.gz DJJSVCPBWZYZKD-MRXNPFEDSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000213415237 388389025 /nfs/dbraw/zinc/38/90/25/388389025.db2.gz DJJSVCPBWZYZKD-INIZCTEOSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000213415480 386780152 /nfs/dbraw/zinc/78/01/52/386780152.db2.gz FVUWCQLWWUJSIT-MRXNPFEDSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000213415536 388388411 /nfs/dbraw/zinc/38/84/11/388388411.db2.gz FVUWCQLWWUJSIT-INIZCTEOSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000213426323 323150316 /nfs/dbraw/zinc/15/03/16/323150316.db2.gz SHXVQFWYOGNULF-MRXNPFEDSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000213426380 323150349 /nfs/dbraw/zinc/15/03/49/323150349.db2.gz SHXVQFWYOGNULF-INIZCTEOSA-N 1 1 242.366 3.713 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000213529282 323151646 /nfs/dbraw/zinc/15/16/46/323151646.db2.gz MSCDISUWUGQLGC-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000213529344 323151651 /nfs/dbraw/zinc/15/16/51/323151651.db2.gz MSCDISUWUGQLGC-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CC ZINC000215665027 384507299 /nfs/dbraw/zinc/50/72/99/384507299.db2.gz GBGRIWJFKZYKAW-AWEZNQCLSA-N 1 1 244.382 3.816 20 30 BHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)CC ZINC000215665075 388346653 /nfs/dbraw/zinc/34/66/53/388346653.db2.gz GBGRIWJFKZYKAW-CQSZACIVSA-N 1 1 244.382 3.816 20 30 BHEDMO CC(C)C[N@H+](C/C=C\c1ccccc1)CCC#N ZINC000218744816 584911852 /nfs/dbraw/zinc/91/18/52/584911852.db2.gz FKLRREGHNNRGFY-POHAHGRESA-N 1 1 242.366 3.571 20 30 BHEDMO CC(C)C[N@@H+](C/C=C\c1ccccc1)CCC#N ZINC000218744816 584911851 /nfs/dbraw/zinc/91/18/51/584911851.db2.gz FKLRREGHNNRGFY-POHAHGRESA-N 1 1 242.366 3.571 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000218971855 388586456 /nfs/dbraw/zinc/58/64/56/388586456.db2.gz NCUFJQFFYVXFOA-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO C=C1CC[NH+](Cc2ccc(Cl)c(C)c2)CC1 ZINC000219004503 357380815 /nfs/dbraw/zinc/38/08/15/357380815.db2.gz OEZMVWCMNIDFRT-UHFFFAOYSA-N 1 1 235.758 3.800 20 30 BHEDMO CC(C)[N@@H+](C/C=C\Cl)Cc1ccc(C#N)cc1 ZINC000221770881 592445373 /nfs/dbraw/zinc/44/53/73/592445373.db2.gz ADRYZGHUXJEQJG-BAQGIRSFSA-N 1 1 248.757 3.521 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223519951 356621669 /nfs/dbraw/zinc/62/16/69/356621669.db2.gz SHHMBAVVCRLOKG-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223520008 356621489 /nfs/dbraw/zinc/62/14/89/356621489.db2.gz SHHMBAVVCRLOKG-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO CC(C)C[N@@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000223522060 535056325 /nfs/dbraw/zinc/05/63/25/535056325.db2.gz JVWCQNWWJKWRLV-UHFFFAOYSA-N 1 1 248.345 3.564 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cccc(C#N)c1F ZINC000223556264 387118727 /nfs/dbraw/zinc/11/87/27/387118727.db2.gz QJUMEVAXHXSCKE-GFCCVEGCSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)Cc1cccc(C#N)c1F ZINC000223556322 387119898 /nfs/dbraw/zinc/11/98/98/387119898.db2.gz QJUMEVAXHXSCKE-LBPRGKRZSA-N 1 1 248.345 3.565 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226108145 388705584 /nfs/dbraw/zinc/70/55/84/388705584.db2.gz VGKQZKPUFAQMFL-HUUCEWRRSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226108239 388705136 /nfs/dbraw/zinc/70/51/36/388705136.db2.gz SPFQLPXQRMZHEK-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO CCCCCCCCn1c[nH+]c(C)c1C ZINC000226152292 640734942 /nfs/dbraw/zinc/73/49/42/640734942.db2.gz NVQSJLSGSCVPJD-UHFFFAOYSA-N 1 1 208.349 3.860 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227834621 259303992 /nfs/dbraw/zinc/30/39/92/259303992.db2.gz SPFQLPXQRMZHEK-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227841853 388760356 /nfs/dbraw/zinc/76/03/56/388760356.db2.gz VGKQZKPUFAQMFL-LSDHHAIUSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228012423 387060032 /nfs/dbraw/zinc/06/00/32/387060032.db2.gz QELAWQNTRCQUDH-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228012440 387060759 /nfs/dbraw/zinc/06/07/59/387060759.db2.gz QELAWQNTRCQUDH-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000229412594 388789458 /nfs/dbraw/zinc/78/94/58/388789458.db2.gz PKAIMEXIDIAKDO-MGPQQGTHSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000229412616 388788727 /nfs/dbraw/zinc/78/87/27/388788727.db2.gz PKAIMEXIDIAKDO-HZSPNIEDSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000229748281 372189638 /nfs/dbraw/zinc/18/96/38/372189638.db2.gz BLUUNDPUJGXZMN-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000229748286 372189806 /nfs/dbraw/zinc/18/98/06/372189806.db2.gz BLUUNDPUJGXZMN-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000229751304 388397525 /nfs/dbraw/zinc/39/75/25/388397525.db2.gz CDFHVAYZFXIYBP-GFCCVEGCSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000229751311 386536149 /nfs/dbraw/zinc/53/61/49/386536149.db2.gz CDFHVAYZFXIYBP-LBPRGKRZSA-N 1 1 248.345 3.565 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC000229957164 342858597 /nfs/dbraw/zinc/85/85/97/342858597.db2.gz LHFOGELANQQHEL-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1cc(F)ccc1C#N)C(C)(C)C ZINC000229957169 342858778 /nfs/dbraw/zinc/85/87/78/342858778.db2.gz LHFOGELANQQHEL-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000229959924 384338473 /nfs/dbraw/zinc/33/84/73/384338473.db2.gz FLVLMWCMSDRFSH-GFCCVEGCSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000229959931 259644427 /nfs/dbraw/zinc/64/44/27/259644427.db2.gz FLVLMWCMSDRFSH-LBPRGKRZSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[N@@H+](CCCCC(C)(C)C#N)CC1CCC1 ZINC000230316620 388823462 /nfs/dbraw/zinc/82/34/62/388823462.db2.gz JBKSDXXLLXCUHY-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000230376113 641051563 /nfs/dbraw/zinc/05/15/63/641051563.db2.gz PYZDXYXLGGMRAO-OAHLLOKOSA-N 1 1 241.419 3.584 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000230376117 641051105 /nfs/dbraw/zinc/05/11/05/641051105.db2.gz PYZDXYXLGGMRAO-HNNXBMFYSA-N 1 1 241.419 3.584 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230410781 641050895 /nfs/dbraw/zinc/05/08/95/641050895.db2.gz KDTMMMGWWMNTRW-ZETCQYMHSA-N 1 1 236.167 3.805 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230410785 641052111 /nfs/dbraw/zinc/05/21/11/641052111.db2.gz KDTMMMGWWMNTRW-SSDOTTSWSA-N 1 1 236.167 3.805 20 30 BHEDMO C#CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000230919988 641114074 /nfs/dbraw/zinc/11/40/74/641114074.db2.gz ROOMKUQZIQMBDS-UHFFFAOYSA-N 1 1 244.725 3.714 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC1(C)C ZINC000232527756 388851846 /nfs/dbraw/zinc/85/18/46/388851846.db2.gz RJPUVZLPDJSKGL-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000232530977 388851709 /nfs/dbraw/zinc/85/17/09/388851709.db2.gz WAWRHHFFJVGOBW-GJZGRUSLSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000232531065 259654974 /nfs/dbraw/zinc/65/49/74/259654974.db2.gz WAWRHHFFJVGOBW-CABCVRRESA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000232531620 342856339 /nfs/dbraw/zinc/85/63/39/342856339.db2.gz CINWXAFVYHYVIC-GJZGRUSLSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)C[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000232581463 388853146 /nfs/dbraw/zinc/85/31/46/388853146.db2.gz LYENNDUQUXUVAE-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)C[N@H+](CCC#N)CCCCC(C)(C)C#N ZINC000232581752 641306823 /nfs/dbraw/zinc/30/68/23/641306823.db2.gz RKSQPOYEIBLUMM-UHFFFAOYSA-N 1 1 249.402 3.578 20 30 BHEDMO C=CCCCCC[N@@H+](CCC#N)CC(C)C ZINC000232583283 711760903 /nfs/dbraw/zinc/76/09/03/711760903.db2.gz OOTQHDNOYBPVQW-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO C=CCCCCCn1c[nH+]c2c1CCCC2 ZINC000232594107 388853984 /nfs/dbraw/zinc/85/39/84/388853984.db2.gz KBEPIXWIRMUQDC-UHFFFAOYSA-N 1 1 218.344 3.508 20 30 BHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000232626443 342867919 /nfs/dbraw/zinc/86/79/19/342867919.db2.gz PADDBHMATDROHV-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000232687600 259656947 /nfs/dbraw/zinc/65/69/47/259656947.db2.gz LJEDKXWTJMREQW-CQSZACIVSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000232699564 388856614 /nfs/dbraw/zinc/85/66/14/388856614.db2.gz WBXGJVUSRIBHFR-CYBMUJFWSA-N 1 1 224.392 3.683 20 30 BHEDMO CC(C)[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000232706378 388855982 /nfs/dbraw/zinc/85/59/82/388855982.db2.gz LOPOCWAYCXZFKF-AWEZNQCLSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000232736657 259333404 /nfs/dbraw/zinc/33/34/04/259333404.db2.gz WBXGJVUSRIBHFR-ZDUSSCGKSA-N 1 1 224.392 3.683 20 30 BHEDMO CC(C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000232740124 388857356 /nfs/dbraw/zinc/85/73/56/388857356.db2.gz LJEDKXWTJMREQW-AWEZNQCLSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)c1[nH+]ccn1CCCCC(C)(C)C#N ZINC000232746682 534916387 /nfs/dbraw/zinc/91/63/87/534916387.db2.gz ZTHJHTPLQNMAPT-UHFFFAOYSA-N 1 1 233.359 3.727 20 30 BHEDMO CC(C)[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000232749490 388857183 /nfs/dbraw/zinc/85/71/83/388857183.db2.gz LOPOCWAYCXZFKF-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC(C)(C)C1 ZINC000232803522 388857393 /nfs/dbraw/zinc/85/73/93/388857393.db2.gz PWJRUALMTLQZET-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCCC[N@@H+](CC)CCCCC(C)(C)C#N ZINC000232952390 259658652 /nfs/dbraw/zinc/65/86/52/259658652.db2.gz DZHQFMCVWXJMMW-UHFFFAOYSA-N 1 1 224.392 3.828 20 30 BHEDMO CCCC[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000232975932 259658534 /nfs/dbraw/zinc/65/85/34/259658534.db2.gz BCBCZKWTVCTIMO-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC000233041063 355329595 /nfs/dbraw/zinc/32/95/95/355329595.db2.gz FZOIIFFSXPYOFZ-UHFFFAOYSA-N 1 1 224.392 3.827 20 30 BHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000233041100 388860873 /nfs/dbraw/zinc/86/08/73/388860873.db2.gz HQLGIAPUKFCPPX-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000233042073 388860866 /nfs/dbraw/zinc/86/08/66/388860866.db2.gz ZTSBJTUYEWHIIA-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCC(C)(C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000233068847 259334009 /nfs/dbraw/zinc/33/40/09/259334009.db2.gz LHZGZJMSJJSVMR-UHFFFAOYSA-N 1 1 224.392 3.827 20 30 BHEDMO CCC[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000233275684 388864351 /nfs/dbraw/zinc/86/43/51/388864351.db2.gz LJIJLIWVWYAXFO-CYBMUJFWSA-N 1 1 224.392 3.827 20 30 BHEDMO CCC[C@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000233335259 388345475 /nfs/dbraw/zinc/34/54/75/388345475.db2.gz LJIJLIWVWYAXFO-ZDUSSCGKSA-N 1 1 224.392 3.827 20 30 BHEDMO CCCc1[nH+]ccn1CCCCC(C)(C)C#N ZINC000233387763 135031552 /nfs/dbraw/zinc/03/15/52/135031552.db2.gz BYTQJSYIAJVALE-UHFFFAOYSA-N 1 1 233.359 3.556 20 30 BHEDMO C=CCCCCCn1cc[nH+]c1CCC ZINC000233387979 388346192 /nfs/dbraw/zinc/34/61/92/388346192.db2.gz BZZGCGCFOJDYHP-UHFFFAOYSA-N 1 1 206.333 3.582 20 30 BHEDMO CC[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000233442950 388347476 /nfs/dbraw/zinc/34/74/76/388347476.db2.gz KIJKGHIMLZFASF-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CC[N@@H+](CCCCC(C)(C)C#N)CC(C)C ZINC000233443234 323103878 /nfs/dbraw/zinc/10/38/78/323103878.db2.gz KIGAFGQLSLZZQB-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CC[C@@H](C)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000233827089 388349565 /nfs/dbraw/zinc/34/95/65/388349565.db2.gz BJANFBOBTINSAY-CYBMUJFWSA-N 1 1 224.392 3.684 20 30 BHEDMO CC[C@@H](C)[N@@H+](CC)CCCCC(C)(C)C#N ZINC000233855350 342891790 /nfs/dbraw/zinc/89/17/90/342891790.db2.gz ZEAPFICSPACFPV-CYBMUJFWSA-N 1 1 224.392 3.827 20 30 BHEDMO CC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000233907479 388350517 /nfs/dbraw/zinc/35/05/17/388350517.db2.gz DVNALPMFLFFUEG-CQSZACIVSA-N 1 1 236.403 3.971 20 30 BHEDMO CC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000233911490 388350895 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234.387 3.581 20 30 BHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](C)C#N ZINC000245727611 388600431 /nfs/dbraw/zinc/60/04/31/388600431.db2.gz BSJUVNHXLSJNIT-HIFRSBDPSA-N 1 1 230.355 3.619 20 30 BHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](C)C#N ZINC000245727615 388601512 /nfs/dbraw/zinc/60/15/12/388601512.db2.gz BSJUVNHXLSJNIT-UKRRQHHQSA-N 1 1 230.355 3.619 20 30 BHEDMO CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)C[C@H](C)C#N ZINC000245762558 388603499 /nfs/dbraw/zinc/60/34/99/388603499.db2.gz ITTNEQNEVRGMJI-DOMZBBRYSA-N 1 1 248.345 3.758 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@@H+](CC)C[C@H](C)C#N ZINC000245762562 388603649 /nfs/dbraw/zinc/60/36/49/388603649.db2.gz ITTNEQNEVRGMJI-IUODEOHRSA-N 1 1 248.345 3.758 20 30 BHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000245766044 388603191 /nfs/dbraw/zinc/60/31/91/388603191.db2.gz JKBUTPQLGNNSGS-BBRMVZONSA-N 1 1 242.366 3.546 20 30 BHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000245766048 388603151 /nfs/dbraw/zinc/60/31/51/388603151.db2.gz 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C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000281463568 135370171 /nfs/dbraw/zinc/37/01/71/135370171.db2.gz DYFHWNBYNUCMRV-CMPLNLGQSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000281463571 534379911 /nfs/dbraw/zinc/37/99/11/534379911.db2.gz DYFHWNBYNUCMRV-JQWIXIFHSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000281463574 346361254 /nfs/dbraw/zinc/36/12/54/346361254.db2.gz DYFHWNBYNUCMRV-PWSUYJOCSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000281463576 135369998 /nfs/dbraw/zinc/36/99/98/135369998.db2.gz DYFHWNBYNUCMRV-ZYHUDNBSSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CCC[C@@H]([NH2+]Cc1ccoc1)c1ccco1 ZINC000285511871 353544813 /nfs/dbraw/zinc/54/48/13/353544813.db2.gz ARGWWZWFZHTKAF-CYBMUJFWSA-N 1 1 231.295 3.670 20 30 BHEDMO C=CCC[C@H]([NH2+]Cc1ccoc1)c1ccco1 ZINC000285511874 353545021 /nfs/dbraw/zinc/54/50/21/353545021.db2.gz ARGWWZWFZHTKAF-ZDUSSCGKSA-N 1 1 231.295 3.670 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCCC#N)C1 ZINC000285633997 342791263 /nfs/dbraw/zinc/79/12/63/342791263.db2.gz KXYSFUTXRNDRNM-GDBMZVCRSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCCC#N)C1 ZINC000285634000 342791173 /nfs/dbraw/zinc/79/11/73/342791173.db2.gz KXYSFUTXRNDRNM-GOEBONIOSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCCCC#N)C1 ZINC000285634002 342791098 /nfs/dbraw/zinc/79/10/98/342791098.db2.gz KXYSFUTXRNDRNM-HOCLYGCPSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCCCC#N)C1 ZINC000285634005 342791104 /nfs/dbraw/zinc/79/11/04/342791104.db2.gz KXYSFUTXRNDRNM-ZBFHGGJFSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000285713446 352056667 /nfs/dbraw/zinc/05/66/67/352056667.db2.gz WOXGSPIAYZBYKB-GDBMZVCRSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000285713449 352056233 /nfs/dbraw/zinc/05/62/33/352056233.db2.gz WOXGSPIAYZBYKB-GOEBONIOSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000285713453 352056407 /nfs/dbraw/zinc/05/64/07/352056407.db2.gz WOXGSPIAYZBYKB-HOCLYGCPSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000285713456 352056481 /nfs/dbraw/zinc/05/64/81/352056481.db2.gz WOXGSPIAYZBYKB-ZBFHGGJFSA-N 1 1 242.366 3.763 20 30 BHEDMO CC[N@@H+](CCCCF)[C@H](C)c1ccc(C#N)cc1 ZINC000285889876 384227382 /nfs/dbraw/zinc/22/73/82/384227382.db2.gz GDBLVGOMRNXFRH-CYBMUJFWSA-N 1 1 248.345 3.691 20 30 BHEDMO CC[N@@H+](CCCCF)[C@@H](C)c1ccc(C#N)cc1 ZINC000285889881 384228303 /nfs/dbraw/zinc/22/83/03/384228303.db2.gz GDBLVGOMRNXFRH-ZDUSSCGKSA-N 1 1 248.345 3.691 20 30 BHEDMO C=CCC[C@@H]([NH2+]CC(=C)Cl)c1ccco1 ZINC000285932509 534797183 /nfs/dbraw/zinc/79/71/83/534797183.db2.gz CZBCZAUMTPJFLP-LLVKDONJSA-N 1 1 225.719 3.629 20 30 BHEDMO C=CCC[C@H]([NH2+]CC(=C)Cl)c1ccco1 ZINC000285932511 135372824 /nfs/dbraw/zinc/37/28/24/135372824.db2.gz CZBCZAUMTPJFLP-NSHDSACASA-N 1 1 225.719 3.629 20 30 BHEDMO CCC[N@@H+](CCCCF)Cc1ccc(C#N)cc1 ZINC000286030287 169153850 /nfs/dbraw/zinc/15/38/50/169153850.db2.gz PVIWTYROGUMFFL-UHFFFAOYSA-N 1 1 248.345 3.520 20 30 BHEDMO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286105165 353556913 /nfs/dbraw/zinc/55/69/13/353556913.db2.gz MTFVHUOMDUYFOV-GWCFXTLKSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000286105168 353557004 /nfs/dbraw/zinc/55/70/04/353557004.db2.gz MTFVHUOMDUYFOV-GXFFZTMASA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286105173 353556952 /nfs/dbraw/zinc/55/69/52/353556952.db2.gz MTFVHUOMDUYFOV-MFKMUULPSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000286105177 353557236 /nfs/dbraw/zinc/55/72/36/353557236.db2.gz MTFVHUOMDUYFOV-ZWNOBZJWSA-N 1 1 237.318 3.537 20 30 BHEDMO CC(C)[N@@H+](CCCCF)Cc1ccc(C#N)cc1 ZINC000286149140 397948577 /nfs/dbraw/zinc/94/85/77/397948577.db2.gz XHXVIZNBSUVHAR-UHFFFAOYSA-N 1 1 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C=CCC[C@H]([NH2+]Cc1occc1C)c1ccco1 ZINC000293338571 136229605 /nfs/dbraw/zinc/22/96/05/136229605.db2.gz GLBJHCNBKOOAMR-ZDUSSCGKSA-N 1 1 245.322 3.978 20 30 BHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000293489310 135180433 /nfs/dbraw/zinc/18/04/33/135180433.db2.gz MXOJACIHZAGJLO-BNOWGMLFSA-N 1 1 246.379 3.577 20 30 BHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000293489312 135179706 /nfs/dbraw/zinc/17/97/06/135179706.db2.gz MXOJACIHZAGJLO-KWCYVHTRSA-N 1 1 246.379 3.577 20 30 BHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000293489315 135180284 /nfs/dbraw/zinc/18/02/84/135180284.db2.gz MXOJACIHZAGJLO-MRVWCRGKSA-N 1 1 246.379 3.577 20 30 BHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000293489319 135180530 /nfs/dbraw/zinc/18/05/30/135180530.db2.gz MXOJACIHZAGJLO-XBFCOCLRSA-N 1 1 246.379 3.577 20 30 BHEDMO C=CC[C@@H]1[N@@H+](Cc2conc2C)CCCC1(C)C ZINC000294608299 353785160 /nfs/dbraw/zinc/78/51/60/353785160.db2.gz IIQCGGRGZZAAQP-AWEZNQCLSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@H]1[N@@H+](Cc2conc2C)CCCC1(C)C ZINC000294608304 353785859 /nfs/dbraw/zinc/78/58/59/353785859.db2.gz IIQCGGRGZZAAQP-CQSZACIVSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000294645630 353783402 /nfs/dbraw/zinc/78/34/02/353783402.db2.gz QHUYVECGKDFZNA-UHFFFAOYSA-N 1 1 232.371 3.521 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCC#N ZINC000296705415 136290955 /nfs/dbraw/zinc/29/09/55/136290955.db2.gz MTADTGIINGBNOW-FMKPAKJESA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCC#N ZINC000296705417 136290957 /nfs/dbraw/zinc/29/09/57/136290957.db2.gz MTADTGIINGBNOW-IIAWOOMASA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCC#N ZINC000296705420 136290900 /nfs/dbraw/zinc/29/09/00/136290900.db2.gz MTADTGIINGBNOW-IJEWVQPXSA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCC#N ZINC000296705422 135193481 /nfs/dbraw/zinc/19/34/81/135193481.db2.gz MTADTGIINGBNOW-YCPHGPKFSA-N 1 1 242.366 3.557 20 30 BHEDMO C[N@@H+](CCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297452462 135195797 /nfs/dbraw/zinc/19/57/97/135195797.db2.gz HIZZBBAZBLIJJN-CVEARBPZSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCCC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297452464 135195791 /nfs/dbraw/zinc/19/57/91/135195791.db2.gz HIZZBBAZBLIJJN-HOTGVXAUSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297452466 135195964 /nfs/dbraw/zinc/19/59/64/135195964.db2.gz HIZZBBAZBLIJJN-HZPDHXFCSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297452468 135195831 /nfs/dbraw/zinc/19/58/31/135195831.db2.gz HIZZBBAZBLIJJN-JKSUJKDBSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000297736733 135196644 /nfs/dbraw/zinc/19/66/44/135196644.db2.gz CVRSJDODSDJRCA-AAEUAGOBSA-N 1 1 234.368 3.577 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000297736735 135196191 /nfs/dbraw/zinc/19/61/91/135196191.db2.gz CVRSJDODSDJRCA-DGCLKSJQSA-N 1 1 234.368 3.577 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000297736738 135196479 /nfs/dbraw/zinc/19/64/79/135196479.db2.gz CVRSJDODSDJRCA-WCQYABFASA-N 1 1 234.368 3.577 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000297736741 135196735 /nfs/dbraw/zinc/19/67/35/135196735.db2.gz CVRSJDODSDJRCA-YPMHNXCESA-N 1 1 234.368 3.577 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000297775922 135196429 /nfs/dbraw/zinc/19/64/29/135196429.db2.gz GKGVQSLQTPVITG-CVEARBPZSA-N 1 1 242.366 3.591 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000297775925 135196168 /nfs/dbraw/zinc/19/61/68/135196168.db2.gz GKGVQSLQTPVITG-HOTGVXAUSA-N 1 1 242.366 3.591 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297775930 135196198 /nfs/dbraw/zinc/19/61/98/135196198.db2.gz GKGVQSLQTPVITG-HZPDHXFCSA-N 1 1 242.366 3.591 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297775935 135196392 /nfs/dbraw/zinc/19/63/92/135196392.db2.gz GKGVQSLQTPVITG-JKSUJKDBSA-N 1 1 242.366 3.591 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCC#N ZINC000297783216 135196424 /nfs/dbraw/zinc/19/64/24/135196424.db2.gz GUODATCJURIONN-AWEZNQCLSA-N 1 1 230.355 3.591 20 30 BHEDMO CCC[N@@H+](Cc1ccccc1)[C@H](C)CCC#N ZINC000297783218 135196560 /nfs/dbraw/zinc/19/65/60/135196560.db2.gz GUODATCJURIONN-CQSZACIVSA-N 1 1 230.355 3.591 20 30 BHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000297962803 135197887 /nfs/dbraw/zinc/19/78/87/135197887.db2.gz UQPJUKJMURBCMJ-SECBINFHSA-N 1 1 242.775 3.526 20 30 BHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000297962804 135197841 /nfs/dbraw/zinc/19/78/41/135197841.db2.gz UQPJUKJMURBCMJ-VIFPVBQESA-N 1 1 242.775 3.526 20 30 BHEDMO C=CC[NH+](CC=C)[C@H](C)c1nc2ccccc2o1 ZINC000298018280 136208762 /nfs/dbraw/zinc/20/87/62/136208762.db2.gz ZXQGJXPVWKUQFL-GFCCVEGCSA-N 1 1 242.322 3.563 20 30 BHEDMO C=CC[NH+](CC=C)[C@@H](C)c1nc2ccccc2o1 ZINC000298018281 136208696 /nfs/dbraw/zinc/20/86/96/136208696.db2.gz ZXQGJXPVWKUQFL-LBPRGKRZSA-N 1 1 242.322 3.563 20 30 BHEDMO CC(C)[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298076168 135380354 /nfs/dbraw/zinc/38/03/54/135380354.db2.gz DXRNCYIDKOJIRU-CYBMUJFWSA-N 1 1 236.746 3.540 20 30 BHEDMO CC(C)[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298076172 535121509 /nfs/dbraw/zinc/12/15/09/535121509.db2.gz DXRNCYIDKOJIRU-ZDUSSCGKSA-N 1 1 236.746 3.540 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)CCC#N ZINC000298078041 135197400 /nfs/dbraw/zinc/19/74/00/135197400.db2.gz JVRCIQXAOLJKGT-CYBMUJFWSA-N 1 1 246.329 3.506 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1F)[C@H](C)CCC#N ZINC000298078041 135197399 /nfs/dbraw/zinc/19/73/99/135197399.db2.gz JVRCIQXAOLJKGT-CYBMUJFWSA-N 1 1 246.329 3.506 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)CCC#N ZINC000298078046 135197829 /nfs/dbraw/zinc/19/78/29/135197829.db2.gz JVRCIQXAOLJKGT-ZDUSSCGKSA-N 1 1 246.329 3.506 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)CCC#N ZINC000298078046 135197827 /nfs/dbraw/zinc/19/78/27/135197827.db2.gz JVRCIQXAOLJKGT-ZDUSSCGKSA-N 1 1 246.329 3.506 20 30 BHEDMO CSc1ccccc1C[N@@H+](C)[C@H](C)CCC#N ZINC000298491707 135199187 /nfs/dbraw/zinc/19/91/87/135199187.db2.gz JOHSFMBAISXBPM-GFCCVEGCSA-N 1 1 248.395 3.533 20 30 BHEDMO CSc1ccccc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000298491711 135199127 /nfs/dbraw/zinc/19/91/27/135199127.db2.gz JOHSFMBAISXBPM-LBPRGKRZSA-N 1 1 248.395 3.533 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000298552791 135199802 /nfs/dbraw/zinc/19/98/02/135199802.db2.gz OIPYNECQTVSJKH-AAEUAGOBSA-N 1 1 248.395 3.823 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000298552794 135199866 /nfs/dbraw/zinc/19/98/66/135199866.db2.gz OIPYNECQTVSJKH-DGCLKSJQSA-N 1 1 248.395 3.823 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000298552796 135199975 /nfs/dbraw/zinc/19/99/75/135199975.db2.gz OIPYNECQTVSJKH-WCQYABFASA-N 1 1 248.395 3.823 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000298552798 135199828 /nfs/dbraw/zinc/19/98/28/135199828.db2.gz OIPYNECQTVSJKH-YPMHNXCESA-N 1 1 248.395 3.823 20 30 BHEDMO N#CCC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000298803376 136291506 /nfs/dbraw/zinc/29/15/06/136291506.db2.gz DZAHLFGFIMBTIA-UHFFFAOYSA-N 1 1 248.757 3.613 20 30 BHEDMO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298817071 135200850 /nfs/dbraw/zinc/20/08/50/135200850.db2.gz FVKHTIADGMGTGK-DDTOSNHZSA-N 1 1 248.757 3.540 20 30 BHEDMO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298817075 135200957 /nfs/dbraw/zinc/20/09/57/135200957.db2.gz FVKHTIADGMGTGK-HONMWMINSA-N 1 1 248.757 3.540 20 30 BHEDMO C[C@@H]1C[C@H]1[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298817081 135201207 /nfs/dbraw/zinc/20/12/07/135201207.db2.gz FVKHTIADGMGTGK-LERXQTSPSA-N 1 1 248.757 3.540 20 30 BHEDMO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298817083 135200843 /nfs/dbraw/zinc/20/08/43/135200843.db2.gz FVKHTIADGMGTGK-SWHYSGLUSA-N 1 1 248.757 3.540 20 30 BHEDMO N#CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000298844596 135201214 /nfs/dbraw/zinc/20/12/14/135201214.db2.gz IEWJLHRDEPCFPV-AWEZNQCLSA-N 1 1 248.757 3.684 20 30 BHEDMO N#CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000298844602 135201570 /nfs/dbraw/zinc/20/15/70/135201570.db2.gz IEWJLHRDEPCFPV-CQSZACIVSA-N 1 1 248.757 3.684 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000299152923 135201886 /nfs/dbraw/zinc/20/18/86/135201886.db2.gz ZECAFYLVHLWXGG-UHFFFAOYSA-N 1 1 238.334 3.575 20 30 BHEDMO CC[N@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000299152923 135201884 /nfs/dbraw/zinc/20/18/84/135201884.db2.gz ZECAFYLVHLWXGG-UHFFFAOYSA-N 1 1 238.334 3.575 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000299195474 135202779 /nfs/dbraw/zinc/20/27/79/135202779.db2.gz DYMJIQMRCJLVDI-FMKPAKJESA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000299195475 135202718 /nfs/dbraw/zinc/20/27/18/135202718.db2.gz DYMJIQMRCJLVDI-IIAWOOMASA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000299195476 135202670 /nfs/dbraw/zinc/20/26/70/135202670.db2.gz DYMJIQMRCJLVDI-IJEWVQPXSA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000299195477 135202615 /nfs/dbraw/zinc/20/26/15/135202615.db2.gz DYMJIQMRCJLVDI-YCPHGPKFSA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000299208243 135202576 /nfs/dbraw/zinc/20/25/76/135202576.db2.gz HEARHEPTMKRQNQ-GFCCVEGCSA-N 1 1 242.322 3.557 20 30 BHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000299208259 135202647 /nfs/dbraw/zinc/20/26/47/135202647.db2.gz HEARHEPTMKRQNQ-LBPRGKRZSA-N 1 1 242.322 3.557 20 30 BHEDMO C[C@H](c1ccccc1)[N@@H+](CCCC#N)C1CC1 ZINC000299377714 135203280 /nfs/dbraw/zinc/20/32/80/135203280.db2.gz MVDVSVNIUVTVHH-CYBMUJFWSA-N 1 1 228.339 3.516 20 30 BHEDMO C[C@@H](c1ccccc1)[N@@H+](CCCC#N)C1CC1 ZINC000299377720 135203358 /nfs/dbraw/zinc/20/33/58/135203358.db2.gz MVDVSVNIUVTVHH-ZDUSSCGKSA-N 1 1 228.339 3.516 20 30 BHEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(Cl)cc1 ZINC000299393660 135203382 /nfs/dbraw/zinc/20/33/82/135203382.db2.gz KFWVNEKMPKCEOS-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(Cl)cc1 ZINC000299393660 135203381 /nfs/dbraw/zinc/20/33/81/135203381.db2.gz KFWVNEKMPKCEOS-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000299393662 135203217 /nfs/dbraw/zinc/20/32/17/135203217.db2.gz KFWVNEKMPKCEOS-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000299393662 135203216 /nfs/dbraw/zinc/20/32/16/135203216.db2.gz KFWVNEKMPKCEOS-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000299401222 135203057 /nfs/dbraw/zinc/20/30/57/135203057.db2.gz UXYMHJWNEIYEJN-FMKPAKJESA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000299401225 135203100 /nfs/dbraw/zinc/20/31/00/135203100.db2.gz UXYMHJWNEIYEJN-IIAWOOMASA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000299401229 135203107 /nfs/dbraw/zinc/20/31/07/135203107.db2.gz UXYMHJWNEIYEJN-IJEWVQPXSA-N 1 1 242.366 3.557 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000299401233 135203455 /nfs/dbraw/zinc/20/34/55/135203455.db2.gz UXYMHJWNEIYEJN-YCPHGPKFSA-N 1 1 242.366 3.557 20 30 BHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCCC#N ZINC000299425644 135203145 /nfs/dbraw/zinc/20/31/45/135203145.db2.gz SVCFMLPLSDADOH-HNNXBMFYSA-N 1 1 230.355 3.763 20 30 BHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCCC#N ZINC000299425649 135203424 /nfs/dbraw/zinc/20/34/24/135203424.db2.gz SVCFMLPLSDADOH-OAHLLOKOSA-N 1 1 230.355 3.763 20 30 BHEDMO CC[N@@H+](CCC#N)[C@H](C)c1cccc(Cl)c1 ZINC000299428025 135203402 /nfs/dbraw/zinc/20/34/02/135203402.db2.gz UHAZOWNDSMTHGB-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@H+](CCC#N)[C@H](C)c1cccc(Cl)c1 ZINC000299428025 135203401 /nfs/dbraw/zinc/20/34/01/135203401.db2.gz UHAZOWNDSMTHGB-LLVKDONJSA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@@H+](CCC#N)[C@@H](C)c1cccc(Cl)c1 ZINC000299428028 135203249 /nfs/dbraw/zinc/20/32/49/135203249.db2.gz UHAZOWNDSMTHGB-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO CC[N@H+](CCC#N)[C@@H](C)c1cccc(Cl)c1 ZINC000299428028 135203248 /nfs/dbraw/zinc/20/32/48/135203248.db2.gz UHAZOWNDSMTHGB-NSHDSACASA-N 1 1 236.746 3.637 20 30 BHEDMO N#CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000299496074 135204250 /nfs/dbraw/zinc/20/42/50/135204250.db2.gz BBYOJLQXDHKSDT-HNNXBMFYSA-N 1 1 246.329 3.560 20 30 BHEDMO N#CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000299496080 135204196 /nfs/dbraw/zinc/20/41/96/135204196.db2.gz BBYOJLQXDHKSDT-OAHLLOKOSA-N 1 1 246.329 3.560 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000299523980 386461620 /nfs/dbraw/zinc/46/16/20/386461620.db2.gz LYNVCEABMXAVLR-CYBMUJFWSA-N 1 1 234.368 3.579 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000299523984 386462239 /nfs/dbraw/zinc/46/22/39/386462239.db2.gz LYNVCEABMXAVLR-ZDUSSCGKSA-N 1 1 234.368 3.579 20 30 BHEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000299530398 135205051 /nfs/dbraw/zinc/20/50/51/135205051.db2.gz GMVAYVJMDVVLRH-HNNXBMFYSA-N 1 1 246.329 3.656 20 30 BHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000299530399 135205122 /nfs/dbraw/zinc/20/51/22/135205122.db2.gz GMVAYVJMDVVLRH-OAHLLOKOSA-N 1 1 246.329 3.656 20 30 BHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000299551451 135205343 /nfs/dbraw/zinc/20/53/43/135205343.db2.gz KZNSBHWSEAHODK-INIZCTEOSA-N 1 1 242.366 3.826 20 30 BHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCCCC#N ZINC000299551455 135205282 /nfs/dbraw/zinc/20/52/82/135205282.db2.gz KZNSBHWSEAHODK-MRXNPFEDSA-N 1 1 242.366 3.826 20 30 BHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCCC#N ZINC000299562719 135204958 /nfs/dbraw/zinc/20/49/58/135204958.db2.gz VXJHBSWEDNLDNP-GFCCVEGCSA-N 1 1 234.318 3.512 20 30 BHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCCC#N ZINC000299562726 135205085 /nfs/dbraw/zinc/20/50/85/135205085.db2.gz VXJHBSWEDNLDNP-LBPRGKRZSA-N 1 1 234.318 3.512 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000299597139 135204854 /nfs/dbraw/zinc/20/48/54/135204854.db2.gz PVEMXZFZMSCCEO-HNNXBMFYSA-N 1 1 228.339 3.517 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000299597142 135204831 /nfs/dbraw/zinc/20/48/31/135204831.db2.gz PVEMXZFZMSCCEO-OAHLLOKOSA-N 1 1 228.339 3.517 20 30 BHEDMO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000300120039 387576640 /nfs/dbraw/zinc/57/66/40/387576640.db2.gz JXKGKXLTXMKJCY-UONOGXRCSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000300120040 387575700 /nfs/dbraw/zinc/57/57/00/387575700.db2.gz JXKGKXLTXMKJCY-ZIAGYGMSSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000300120117 387575425 /nfs/dbraw/zinc/57/54/25/387575425.db2.gz MHRFEILMSODAKB-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000300120118 387578175 /nfs/dbraw/zinc/57/81/75/387578175.db2.gz MHRFEILMSODAKB-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000300120874 387578260 /nfs/dbraw/zinc/57/82/60/387578260.db2.gz QVXSDRBRJPKALM-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000300121424 384177578 /nfs/dbraw/zinc/17/75/78/384177578.db2.gz WAWRHHFFJVGOBW-HUUCEWRRSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000300121425 387579632 /nfs/dbraw/zinc/57/96/32/387579632.db2.gz WAWRHHFFJVGOBW-LSDHHAIUSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)CC[N@@H+](C)CCCCC(C)(C)C#N ZINC000300121750 344917665 /nfs/dbraw/zinc/91/76/65/344917665.db2.gz WQRBJGAYOBRMCG-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO C=CC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000301360249 134156492 /nfs/dbraw/zinc/15/64/92/134156492.db2.gz ADYGJMBBZAVDAL-UHFFFAOYSA-N 1 1 244.363 3.699 20 30 BHEDMO C=CCCCN(C)c1cc[nH+]c2ccsc21 ZINC000301396144 534715448 /nfs/dbraw/zinc/71/54/48/534715448.db2.gz MLZVRUDINNURAO-UHFFFAOYSA-N 1 1 232.352 3.699 20 30 BHEDMO C=C[C@@H](C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301608520 384900696 /nfs/dbraw/zinc/90/06/96/384900696.db2.gz OUDCODWVALADGZ-SECBINFHSA-N 1 1 232.714 3.875 20 30 BHEDMO C=C[C@H](C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301608521 384901902 /nfs/dbraw/zinc/90/19/02/384901902.db2.gz OUDCODWVALADGZ-VIFPVBQESA-N 1 1 232.714 3.875 20 30 BHEDMO C#CCCCCNc1cc[nH+]c2ccsc21 ZINC000301624040 384904960 /nfs/dbraw/zinc/90/49/60/384904960.db2.gz FTBZOOLRDHSMOQ-UHFFFAOYSA-N 1 1 230.336 3.512 20 30 BHEDMO C=C[C@H](C)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000301685664 136265096 /nfs/dbraw/zinc/26/50/96/136265096.db2.gz UJBOUSKDTHVXLK-JTQLQIEISA-N 1 1 242.322 3.538 20 30 BHEDMO C=C[C@@H](C)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000301685666 136265153 /nfs/dbraw/zinc/26/51/53/136265153.db2.gz UJBOUSKDTHVXLK-SNVBAGLBSA-N 1 1 242.322 3.538 20 30 BHEDMO C=C(C)CN(CC)c1cc[nH+]c2ccsc21 ZINC000301746450 136265271 /nfs/dbraw/zinc/26/52/71/136265271.db2.gz YCSYOVHQDQYMCE-UHFFFAOYSA-N 1 1 232.352 3.699 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C)Cc1cccc(C#N)c1 ZINC000301951180 388617093 /nfs/dbraw/zinc/61/70/93/388617093.db2.gz DQOJFWQLVNMQEQ-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC2(CCCC2)C1 ZINC000302024443 347460475 /nfs/dbraw/zinc/46/04/75/347460475.db2.gz YHZJQRSLAIILOC-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO C=CCCC[C@@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000302124459 384960032 /nfs/dbraw/zinc/96/00/32/384960032.db2.gz ZEWYZVFINSTRMH-LLVKDONJSA-N 1 1 233.359 3.504 20 30 BHEDMO C=CCCC[C@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000302124460 384960836 /nfs/dbraw/zinc/96/08/36/384960836.db2.gz ZEWYZVFINSTRMH-NSHDSACASA-N 1 1 233.359 3.504 20 30 BHEDMO C=CCCC[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000302251178 384985598 /nfs/dbraw/zinc/98/55/98/384985598.db2.gz WTOFIFIJCOJBNE-LLVKDONJSA-N 1 1 204.317 3.547 20 30 BHEDMO C=CCCC[C@H](C)Nc1cccc(C)[nH+]1 ZINC000302251179 384984810 /nfs/dbraw/zinc/98/48/10/384984810.db2.gz WTOFIFIJCOJBNE-NSHDSACASA-N 1 1 204.317 3.547 20 30 BHEDMO CC(C)C[C@H](C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000302453176 528458559 /nfs/dbraw/zinc/45/85/59/528458559.db2.gz XQYQBWHWWLDMED-AWEZNQCLSA-N 1 1 244.382 3.672 20 30 BHEDMO CC(C)C[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000302453178 528250225 /nfs/dbraw/zinc/25/02/25/528250225.db2.gz XQYQBWHWWLDMED-CQSZACIVSA-N 1 1 244.382 3.672 20 30 BHEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302734817 350095238 /nfs/dbraw/zinc/09/52/38/350095238.db2.gz BUZUOGAODHILEG-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)cc1Cl ZINC000302741866 526547371 /nfs/dbraw/zinc/54/73/71/526547371.db2.gz LGTURXODDFZQEO-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748650 526549132 /nfs/dbraw/zinc/54/91/32/526549132.db2.gz UAVHOOLBCHASKK-GFCCVEGCSA-N 1 1 248.326 3.554 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000302748651 526549055 /nfs/dbraw/zinc/54/90/55/526549055.db2.gz UAVHOOLBCHASKK-LBPRGKRZSA-N 1 1 248.326 3.554 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccccc1 ZINC000302749417 526549090 /nfs/dbraw/zinc/54/90/90/526549090.db2.gz UUQILOLGJMIWPJ-CYBMUJFWSA-N 1 1 203.329 3.646 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccccc1 ZINC000302749418 526549583 /nfs/dbraw/zinc/54/95/83/526549583.db2.gz UUQILOLGJMIWPJ-ZDUSSCGKSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CC[N@H+](CC(=C)C)Cc1ccc(Cl)s1 ZINC000302834023 490604430 /nfs/dbraw/zinc/60/44/30/490604430.db2.gz RLXMGONKZMBAMU-UHFFFAOYSA-N 1 1 241.787 3.966 20 30 BHEDMO C=C(Cl)C[N@H+](CCC)Cc1ccccc1 ZINC000302837647 644787413 /nfs/dbraw/zinc/78/74/13/644787413.db2.gz NTUMULOGIWHMNU-UHFFFAOYSA-N 1 1 223.747 3.651 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000302838605 490606828 /nfs/dbraw/zinc/60/68/28/490606828.db2.gz SBKKHGNWKNYLIS-AWEZNQCLSA-N 1 1 229.367 3.863 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000302838606 490606782 /nfs/dbraw/zinc/60/67/82/490606782.db2.gz SBKKHGNWKNYLIS-CQSZACIVSA-N 1 1 229.367 3.863 20 30 BHEDMO C=CC[N@H+](CCc1ccccc1)CCC(C)C ZINC000302984876 388850181 /nfs/dbraw/zinc/85/01/81/388850181.db2.gz LFPJWNKATPBQLM-UHFFFAOYSA-N 1 1 231.383 3.763 20 30 BHEDMO CC(C)[N@@H+](CCC#N)CCC1CCCCC1 ZINC000303218668 323127320 /nfs/dbraw/zinc/12/73/20/323127320.db2.gz LUYXVOQJPWQHKL-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303224539 350108944 /nfs/dbraw/zinc/10/89/44/350108944.db2.gz WBWIIXVUHNYEDE-INIZCTEOSA-N 1 1 229.367 3.832 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000303224540 350108801 /nfs/dbraw/zinc/10/88/01/350108801.db2.gz WBWIIXVUHNYEDE-MRXNPFEDSA-N 1 1 229.367 3.832 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCc1ccccc1Cl ZINC000303239915 350110376 /nfs/dbraw/zinc/11/03/76/350110376.db2.gz IXENUWCFPPCCOA-UHFFFAOYSA-N 1 1 237.774 3.781 20 30 BHEDMO C=CC[N@H+](CC(=C)C)CC1CCCCC1 ZINC000303432220 527580786 /nfs/dbraw/zinc/58/07/86/527580786.db2.gz FADFVHLJNDMJTI-UHFFFAOYSA-N 1 1 207.361 3.631 20 30 BHEDMO C=CC[N@H+](C/C=C/Cl)CC1CCCCC1 ZINC000303464949 644826195 /nfs/dbraw/zinc/82/61/95/644826195.db2.gz PBCLCBBYWFKQOE-RMKNXTFCSA-N 1 1 227.779 3.807 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303558265 644830516 /nfs/dbraw/zinc/83/05/16/644830516.db2.gz KTWHLPQNQNUEKU-CYBMUJFWSA-N 1 1 225.763 3.561 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303558266 644829949 /nfs/dbraw/zinc/82/99/49/644829949.db2.gz KTWHLPQNQNUEKU-ZDUSSCGKSA-N 1 1 225.763 3.561 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303577369 526605800 /nfs/dbraw/zinc/60/58/00/526605800.db2.gz JVIVMIOKMLFUHI-INIZCTEOSA-N 1 1 229.367 3.616 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303577370 526606688 /nfs/dbraw/zinc/60/66/88/526606688.db2.gz JVIVMIOKMLFUHI-MRXNPFEDSA-N 1 1 229.367 3.616 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303585119 644833136 /nfs/dbraw/zinc/83/31/36/644833136.db2.gz LDHNIRHZZAUOND-HNNXBMFYSA-N 1 1 249.785 3.793 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303585120 644832193 /nfs/dbraw/zinc/83/21/93/644832193.db2.gz LDHNIRHZZAUOND-OAHLLOKOSA-N 1 1 249.785 3.793 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303603388 644833599 /nfs/dbraw/zinc/83/35/99/644833599.db2.gz NYMSWEXKRXRCBE-HNNXBMFYSA-N 1 1 249.785 3.754 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303603391 644833711 /nfs/dbraw/zinc/83/37/11/644833711.db2.gz NYMSWEXKRXRCBE-OAHLLOKOSA-N 1 1 249.785 3.754 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000303630984 369428162 /nfs/dbraw/zinc/42/81/62/369428162.db2.gz FSPVTCBFALCGKE-CYBMUJFWSA-N 1 1 209.377 3.711 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000303630986 369429537 /nfs/dbraw/zinc/42/95/37/369429537.db2.gz FSPVTCBFALCGKE-ZDUSSCGKSA-N 1 1 209.377 3.711 20 30 BHEDMO CCCCC[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000303661218 369430905 /nfs/dbraw/zinc/43/09/05/369430905.db2.gz DKALVVKTMSPMDM-UHFFFAOYSA-N 1 1 244.382 3.960 20 30 BHEDMO C=CC[N@H+](CCCCC)Cc1ccc(OC)cc1 ZINC000303664533 369430556 /nfs/dbraw/zinc/43/05/56/369430556.db2.gz DZPRSZJZTNASBD-UHFFFAOYSA-N 1 1 247.382 3.873 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303697644 491099697 /nfs/dbraw/zinc/09/96/97/491099697.db2.gz ALVOHXXIGDRJCM-GFCCVEGCSA-N 1 1 237.774 3.779 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303697645 491099654 /nfs/dbraw/zinc/09/96/54/491099654.db2.gz ALVOHXXIGDRJCM-LBPRGKRZSA-N 1 1 237.774 3.779 20 30 BHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000303717624 387227445 /nfs/dbraw/zinc/22/74/45/387227445.db2.gz VOLNSCRZSXXSOH-INIZCTEOSA-N 1 1 242.366 3.569 20 30 BHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000303717625 398293610 /nfs/dbraw/zinc/29/36/10/398293610.db2.gz VOLNSCRZSXXSOH-MRXNPFEDSA-N 1 1 242.366 3.569 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1c(C)cccc1C ZINC000303743729 323160106 /nfs/dbraw/zinc/16/01/06/323160106.db2.gz JEMIROCIQQTBMR-UHFFFAOYSA-N 1 1 217.356 3.701 20 30 BHEDMO C=CC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303758889 388860529 /nfs/dbraw/zinc/86/05/29/388860529.db2.gz NVHKJZZGLZAQSE-CYBMUJFWSA-N 1 1 219.328 3.691 20 30 BHEDMO C=CC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000303758890 388861071 /nfs/dbraw/zinc/86/10/71/388861071.db2.gz NVHKJZZGLZAQSE-ZDUSSCGKSA-N 1 1 219.328 3.691 20 30 BHEDMO CC(C)C[N@H+](CCC#N)CCCC(C)(C)C ZINC000303794412 644848066 /nfs/dbraw/zinc/84/80/66/644848066.db2.gz LRJMWUGHEKCBPT-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CC(C)(C)CCC[N@@H+](CC#N)C1CCCC1 ZINC000303794842 527661159 /nfs/dbraw/zinc/66/11/59/527661159.db2.gz NLNRMPOCRRUMHS-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)(C)CCC[N@H+](CC#N)C1CCCC1 ZINC000303794842 527661157 /nfs/dbraw/zinc/66/11/57/527661157.db2.gz NLNRMPOCRRUMHS-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000303805301 369437300 /nfs/dbraw/zinc/43/73/00/369437300.db2.gz XTDVIUBRCIZCAU-CABCVRRESA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000303805302 369437582 /nfs/dbraw/zinc/43/75/82/369437582.db2.gz XTDVIUBRCIZCAU-GJZGRUSLSA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000303805304 369437316 /nfs/dbraw/zinc/43/73/16/369437316.db2.gz XTDVIUBRCIZCAU-HUUCEWRRSA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000303805306 369437617 /nfs/dbraw/zinc/43/76/17/369437617.db2.gz XTDVIUBRCIZCAU-LSDHHAIUSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CC[N@H+](CCSCC)CC1CCCCC1 ZINC000303852673 323160932 /nfs/dbraw/zinc/16/09/32/323160932.db2.gz DYTNIOAJIWXEBH-UHFFFAOYSA-N 1 1 241.444 3.808 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000303854939 644851259 /nfs/dbraw/zinc/85/12/59/644851259.db2.gz VPYFRFFBLKWQAN-CYBMUJFWSA-N 1 1 237.774 3.610 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000303854942 644850611 /nfs/dbraw/zinc/85/06/11/644850611.db2.gz VPYFRFFBLKWQAN-ZDUSSCGKSA-N 1 1 237.774 3.610 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCc1cccc(OC)c1 ZINC000303894038 323161337 /nfs/dbraw/zinc/16/13/37/323161337.db2.gz KPIDFNJELNQHBZ-UHFFFAOYSA-N 1 1 247.382 3.526 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303896340 369441317 /nfs/dbraw/zinc/44/13/17/369441317.db2.gz KWANPYOPNYOSML-UHFFFAOYSA-N 1 1 233.355 3.990 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303905142 369441855 /nfs/dbraw/zinc/44/18/55/369441855.db2.gz TVFBMUXOTKEKPU-GXTWGEPZSA-N 1 1 233.330 3.580 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000303905146 369441405 /nfs/dbraw/zinc/44/14/05/369441405.db2.gz TVFBMUXOTKEKPU-JSGCOSHPSA-N 1 1 233.330 3.580 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000303905150 369441816 /nfs/dbraw/zinc/44/18/16/369441816.db2.gz TVFBMUXOTKEKPU-OCCSQVGLSA-N 1 1 233.330 3.580 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000303905153 369440831 /nfs/dbraw/zinc/44/08/31/369440831.db2.gz TVFBMUXOTKEKPU-TZMCWYRMSA-N 1 1 233.330 3.580 20 30 BHEDMO C[N@@H+](CCC1CCCC1)Cc1ccc(C#N)cc1 ZINC000303922159 323162059 /nfs/dbraw/zinc/16/20/59/323162059.db2.gz OVUVQJWVCPXLCJ-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000303923634 644858034 /nfs/dbraw/zinc/85/80/34/644858034.db2.gz PEVNPHAYSRRKTA-AWEZNQCLSA-N 1 1 237.774 3.692 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000303923637 644858383 /nfs/dbraw/zinc/85/83/83/644858383.db2.gz PEVNPHAYSRRKTA-CQSZACIVSA-N 1 1 237.774 3.692 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000303958514 369446660 /nfs/dbraw/zinc/44/66/60/369446660.db2.gz YKVDYJURSDCUHG-HNNXBMFYSA-N 1 1 217.356 3.516 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000303958515 369446585 /nfs/dbraw/zinc/44/65/85/369446585.db2.gz YKVDYJURSDCUHG-OAHLLOKOSA-N 1 1 217.356 3.516 20 30 BHEDMO C[N@@H+](CCC1CCCC1)Cc1cccc(C#N)c1 ZINC000303961965 529876881 /nfs/dbraw/zinc/87/68/81/529876881.db2.gz ZXGZXGXVSWNBPW-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC(C)C[C@H](C)C[N@@H+](CCC#N)CC(C)C ZINC000304165980 635936592 /nfs/dbraw/zinc/93/65/92/635936592.db2.gz JIIWAMUDMDJAQD-AWEZNQCLSA-N 1 1 224.392 3.540 20 30 BHEDMO CC(C)C[C@@H](C)C[N@@H+](CCC#N)CC(C)C ZINC000304165982 635936477 /nfs/dbraw/zinc/93/64/77/635936477.db2.gz JIIWAMUDMDJAQD-CQSZACIVSA-N 1 1 224.392 3.540 20 30 BHEDMO C=C(Br)C[N@@H+]1CCCCC[C@H]1CC ZINC000306877327 642351207 /nfs/dbraw/zinc/35/12/07/642351207.db2.gz CFMCDPZJMXNWIM-LLVKDONJSA-N 1 1 246.192 3.550 20 30 BHEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CC ZINC000306877329 643267549 /nfs/dbraw/zinc/26/75/49/643267549.db2.gz CFMCDPZJMXNWIM-NSHDSACASA-N 1 1 246.192 3.550 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000307004676 351417873 /nfs/dbraw/zinc/41/78/73/351417873.db2.gz DUOOBEDUHMGDAY-HNNXBMFYSA-N 1 1 229.367 3.701 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000307004679 351418356 /nfs/dbraw/zinc/41/83/56/351418356.db2.gz DUOOBEDUHMGDAY-OAHLLOKOSA-N 1 1 229.367 3.701 20 30 BHEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000307769578 526272568 /nfs/dbraw/zinc/27/25/68/526272568.db2.gz DTGJWQIRRNXFCF-CYBMUJFWSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000307769580 527699867 /nfs/dbraw/zinc/69/98/67/527699867.db2.gz DTGJWQIRRNXFCF-ZDUSSCGKSA-N 1 1 236.403 3.684 20 30 BHEDMO C=C(Cl)C[N@H+](CCCCC)C(C)C ZINC000308233312 642521217 /nfs/dbraw/zinc/52/12/17/642521217.db2.gz PUHUIUFIUGJRAT-UHFFFAOYSA-N 1 1 203.757 3.640 20 30 BHEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1CCC ZINC000308258459 631230112 /nfs/dbraw/zinc/23/01/12/631230112.db2.gz LDTZJNNHKVBAQN-LLVKDONJSA-N 1 1 246.192 3.550 20 30 BHEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1CCC ZINC000308258461 631229978 /nfs/dbraw/zinc/22/99/78/631229978.db2.gz LDTZJNNHKVBAQN-NSHDSACASA-N 1 1 246.192 3.550 20 30 BHEDMO C=CCCCCC[N@H+](C)CC(=C)Br ZINC000308276432 631238754 /nfs/dbraw/zinc/23/87/54/631238754.db2.gz VWDYMHTUXRUABZ-UHFFFAOYSA-N 1 1 246.192 3.573 20 30 BHEDMO C=CCCCCC[N@@H+](C)CC(=C)Br ZINC000308276432 631238747 /nfs/dbraw/zinc/23/87/47/631238747.db2.gz VWDYMHTUXRUABZ-UHFFFAOYSA-N 1 1 246.192 3.573 20 30 BHEDMO C#C[C@H](CC)[NH2+]Cc1csc(Cl)c1Cl ZINC000308616404 633771089 /nfs/dbraw/zinc/77/10/89/633771089.db2.gz RUYAIYMAAMJQIB-MRVPVSSYSA-N 1 1 248.178 3.556 20 30 BHEDMO C#C[C@@H](CC)[NH2+]Cc1csc(Cl)c1Cl ZINC000308616405 631344922 /nfs/dbraw/zinc/34/49/22/631344922.db2.gz RUYAIYMAAMJQIB-QMMMGPOBSA-N 1 1 248.178 3.556 20 30 BHEDMO C=CCCC[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000308848834 527272695 /nfs/dbraw/zinc/27/26/95/527272695.db2.gz NIXMEKNBVIRUFS-GFCCVEGCSA-N 1 1 204.317 3.547 20 30 BHEDMO C=CCCC[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000308848835 527298394 /nfs/dbraw/zinc/29/83/94/527298394.db2.gz NIXMEKNBVIRUFS-LBPRGKRZSA-N 1 1 204.317 3.547 20 30 BHEDMO C=CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000308878243 526663671 /nfs/dbraw/zinc/66/36/71/526663671.db2.gz OKJPUDYIONTMKT-UHFFFAOYSA-N 1 1 242.149 3.758 20 30 BHEDMO C=CCC(C)(C)CNc1cc[nH+]cc1Cl ZINC000308950273 385312385 /nfs/dbraw/zinc/31/23/85/385312385.db2.gz UQUFZDBGLVKZJZ-UHFFFAOYSA-N 1 1 224.735 3.749 20 30 BHEDMO C=C(CC)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309105884 384525040 /nfs/dbraw/zinc/52/50/40/384525040.db2.gz HUVLPHWKEQCHCL-UHFFFAOYSA-N 1 1 217.303 3.510 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000309428801 384044053 /nfs/dbraw/zinc/04/40/53/384044053.db2.gz MBTGIVSOBNJZCX-CYBMUJFWSA-N 1 1 224.392 3.827 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000309428804 384042796 /nfs/dbraw/zinc/04/27/96/384042796.db2.gz MBTGIVSOBNJZCX-ZDUSSCGKSA-N 1 1 224.392 3.827 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000309688988 633226188 /nfs/dbraw/zinc/22/61/88/633226188.db2.gz IMJXWMLZQQDUCM-CYBMUJFWSA-N 1 1 239.746 3.771 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000309688989 633225402 /nfs/dbraw/zinc/22/54/02/633225402.db2.gz IMJXWMLZQQDUCM-ZDUSSCGKSA-N 1 1 239.746 3.771 20 30 BHEDMO C=CCC[C@@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000309739470 347150267 /nfs/dbraw/zinc/15/02/67/347150267.db2.gz HKJUASSMJWWPRM-LLVKDONJSA-N 1 1 216.328 3.726 20 30 BHEDMO C=CCC[C@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000309739472 347150409 /nfs/dbraw/zinc/15/04/09/347150409.db2.gz HKJUASSMJWWPRM-NSHDSACASA-N 1 1 216.328 3.726 20 30 BHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(F)F ZINC000310044562 388474663 /nfs/dbraw/zinc/47/46/63/388474663.db2.gz AOMWNXIUXMDMFY-UHFFFAOYSA-N 1 1 246.345 3.684 20 30 BHEDMO CCC[N@H+](CCCCC(C)(C)C#N)CC(F)F ZINC000310044562 388474661 /nfs/dbraw/zinc/47/46/61/388474661.db2.gz AOMWNXIUXMDMFY-UHFFFAOYSA-N 1 1 246.345 3.684 20 30 BHEDMO CC[C@@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000310044580 388474773 /nfs/dbraw/zinc/47/47/73/388474773.db2.gz BWNVMZNLVYAKCP-HNNXBMFYSA-N 1 1 236.403 3.828 20 30 BHEDMO CC[C@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000310044581 388474756 /nfs/dbraw/zinc/47/47/56/388474756.db2.gz BWNVMZNLVYAKCP-OAHLLOKOSA-N 1 1 236.403 3.828 20 30 BHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000310044591 388474535 /nfs/dbraw/zinc/47/45/35/388474535.db2.gz DAFAFSNIKJJRND-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000310044592 388474827 /nfs/dbraw/zinc/47/48/27/388474827.db2.gz DAFAFSNIKJJRND-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000310044593 388474533 /nfs/dbraw/zinc/47/45/33/388474533.db2.gz DAFAFSNIKJJRND-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000310044594 388474524 /nfs/dbraw/zinc/47/45/24/388474524.db2.gz DAFAFSNIKJJRND-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000310044737 388474783 /nfs/dbraw/zinc/47/47/83/388474783.db2.gz PPBIWZXJESJPHV-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000310044738 388474604 /nfs/dbraw/zinc/47/46/04/388474604.db2.gz PPBIWZXJESJPHV-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000310090155 529341868 /nfs/dbraw/zinc/34/18/68/529341868.db2.gz DOKHDELSJCHLEN-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000310090156 370298068 /nfs/dbraw/zinc/29/80/68/370298068.db2.gz DOKHDELSJCHLEN-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[C@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000310149434 388476544 /nfs/dbraw/zinc/47/65/44/388476544.db2.gz OPKXZHIZRACFCO-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCC[C@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000310149434 388476542 /nfs/dbraw/zinc/47/65/42/388476542.db2.gz OPKXZHIZRACFCO-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCC[C@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000310149436 388476795 /nfs/dbraw/zinc/47/67/95/388476795.db2.gz OPKXZHIZRACFCO-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCC[C@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000310149436 388476793 /nfs/dbraw/zinc/47/67/93/388476793.db2.gz OPKXZHIZRACFCO-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCC[C@@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000310149438 388476311 /nfs/dbraw/zinc/47/63/11/388476311.db2.gz OPKXZHIZRACFCO-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCC[C@@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000310149438 388476309 /nfs/dbraw/zinc/47/63/09/388476309.db2.gz OPKXZHIZRACFCO-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCC[C@@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000310149439 388476266 /nfs/dbraw/zinc/47/62/66/388476266.db2.gz OPKXZHIZRACFCO-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCC[C@@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000310149439 388476263 /nfs/dbraw/zinc/47/62/63/388476263.db2.gz OPKXZHIZRACFCO-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO CC[N@@H+](C[C@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266298 384733384 /nfs/dbraw/zinc/73/33/84/384733384.db2.gz RNHOMIADICSUFQ-CYBMUJFWSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](C[C@@H](C)C#N)CC1CCC(C)(C)CC1 ZINC000310266300 384732765 /nfs/dbraw/zinc/73/27/65/384732765.db2.gz RNHOMIADICSUFQ-ZDUSSCGKSA-N 1 1 236.403 3.684 20 30 BHEDMO C=CCC(C)(C)CNc1[nH]c2ccccc2[nH+]1 ZINC000310361846 384792724 /nfs/dbraw/zinc/79/27/24/384792724.db2.gz UPRUQSRUBQVNOG-UHFFFAOYSA-N 1 1 229.327 3.577 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000310406194 388668353 /nfs/dbraw/zinc/66/83/53/388668353.db2.gz OGIIVGMPCAYEAM-CYBMUJFWSA-N 1 1 230.355 3.569 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000310406195 388668062 /nfs/dbraw/zinc/66/80/62/388668062.db2.gz OGIIVGMPCAYEAM-ZDUSSCGKSA-N 1 1 230.355 3.569 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000310425068 388669865 /nfs/dbraw/zinc/66/98/65/388669865.db2.gz RJKSDHDGIWWFOR-CYBMUJFWSA-N 1 1 230.355 3.569 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000310425069 388669916 /nfs/dbraw/zinc/66/99/16/388669916.db2.gz RJKSDHDGIWWFOR-ZDUSSCGKSA-N 1 1 230.355 3.569 20 30 BHEDMO CC(C)[N@@H+](CCC#N)C[C@H](C)C1CCCCC1 ZINC000310483963 343509640 /nfs/dbraw/zinc/50/96/40/343509640.db2.gz MIHPEUTYFSLKSR-AWEZNQCLSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)[N@@H+](CCC#N)C[C@@H](C)C1CCCCC1 ZINC000310483964 343509726 /nfs/dbraw/zinc/50/97/26/343509726.db2.gz MIHPEUTYFSLKSR-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[N@H+](Cc1ccc(C#N)cc1C)CC(C)C ZINC000310788514 343576467 /nfs/dbraw/zinc/57/64/67/343576467.db2.gz AQZMKHZDRRDZAC-UHFFFAOYSA-N 1 1 244.382 3.735 20 30 BHEDMO CCC[N@H+](Cc1cc(C#N)ccc1F)CC(C)C ZINC000310871881 388671184 /nfs/dbraw/zinc/67/11/84/388671184.db2.gz SSDCQAMBSITYQU-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO CCC[N@H+](Cc1cc(F)ccc1C#N)CC(C)C ZINC000310913039 384532561 /nfs/dbraw/zinc/53/25/61/384532561.db2.gz FMLFTUZEZOKTFV-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC000311048521 384670512 /nfs/dbraw/zinc/67/05/12/384670512.db2.gz QHGXSVFXQXMURZ-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)CC(C)(C)C ZINC000311106985 388673360 /nfs/dbraw/zinc/67/33/60/388673360.db2.gz DKIAFTQQFSQUFQ-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)CC(C)(C)C ZINC000311182624 384815468 /nfs/dbraw/zinc/81/54/68/384815468.db2.gz ZJSXTUWVFXPTMP-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000311192550 388673151 /nfs/dbraw/zinc/67/31/51/388673151.db2.gz FBWNXLYIDJVNBV-GFCCVEGCSA-N 1 1 248.345 3.708 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000311192551 388672674 /nfs/dbraw/zinc/67/26/74/388672674.db2.gz FBWNXLYIDJVNBV-LBPRGKRZSA-N 1 1 248.345 3.708 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000311193913 384861720 /nfs/dbraw/zinc/86/17/20/384861720.db2.gz FNHFCKJBRGLLPH-GFCCVEGCSA-N 1 1 248.345 3.708 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000311193914 384861950 /nfs/dbraw/zinc/86/19/50/384861950.db2.gz FNHFCKJBRGLLPH-LBPRGKRZSA-N 1 1 248.345 3.708 20 30 BHEDMO CC[N@@H+](CC/C=C\c1ccccc1)C[C@@H](C)C#N ZINC000323435656 385155582 /nfs/dbraw/zinc/15/55/82/385155582.db2.gz RBRQBTPLBZMIIM-QARUFBMTSA-N 1 1 242.366 3.571 20 30 BHEDMO CC[N@@H+](CC/C=C/c1ccccc1)C[C@@H](C)C#N ZINC000323435659 385152808 /nfs/dbraw/zinc/15/28/08/385152808.db2.gz RBRQBTPLBZMIIM-USYSOWRXSA-N 1 1 242.366 3.571 20 30 BHEDMO CC[N@@H+](CC/C=C/c1ccccc1)C[C@H](C)C#N ZINC000323435660 385153978 /nfs/dbraw/zinc/15/39/78/385153978.db2.gz RBRQBTPLBZMIIM-XKOZXHHJSA-N 1 1 242.366 3.571 20 30 BHEDMO C[C@H](C1CCC1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000325818873 387548468 /nfs/dbraw/zinc/54/84/68/387548468.db2.gz LVKYIBMNHZRBJD-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H](C1CCC1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000325818874 387548221 /nfs/dbraw/zinc/54/82/21/387548221.db2.gz LVKYIBMNHZRBJD-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO CCc1ccc[nH+]c1NC1CCC(C)(C#N)CC1 ZINC000334654980 354448761 /nfs/dbraw/zinc/44/87/61/354448761.db2.gz RPMGAIWLQUVISR-UHFFFAOYSA-N 1 1 243.354 3.528 20 30 BHEDMO 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N#CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000343598680 353930024 /nfs/dbraw/zinc/93/00/24/353930024.db2.gz ODMAIXRZYKZRHU-UHFFFAOYSA-N 1 1 245.713 3.604 20 30 BHEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343707315 388502303 /nfs/dbraw/zinc/50/23/03/388502303.db2.gz HSAOHUMNRNAACI-BBRMVZONSA-N 1 1 242.366 3.516 20 30 BHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343707316 385232318 /nfs/dbraw/zinc/23/23/18/385232318.db2.gz HSAOHUMNRNAACI-CJNGLKHVSA-N 1 1 242.366 3.516 20 30 BHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343707317 385230532 /nfs/dbraw/zinc/23/05/32/385230532.db2.gz HSAOHUMNRNAACI-CZUORRHYSA-N 1 1 242.366 3.516 20 30 BHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343707318 385230347 /nfs/dbraw/zinc/23/03/47/385230347.db2.gz HSAOHUMNRNAACI-XJKSGUPXSA-N 1 1 242.366 3.516 20 30 BHEDMO C=CCC[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344155183 354156824 /nfs/dbraw/zinc/15/68/24/354156824.db2.gz KDOZYWLTYVZXLK-UHFFFAOYSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCCc2occc2C1 ZINC000344257250 354191457 /nfs/dbraw/zinc/19/14/57/354191457.db2.gz IXGAGNDVFGBZTO-CYBMUJFWSA-N 1 1 233.355 3.773 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCCc2occc2C1 ZINC000344257303 354191482 /nfs/dbraw/zinc/19/14/82/354191482.db2.gz IXGAGNDVFGBZTO-ZDUSSCGKSA-N 1 1 233.355 3.773 20 30 BHEDMO C=CC[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000345343072 354619236 /nfs/dbraw/zinc/61/92/36/354619236.db2.gz IPIAHAQKTMZOLD-UHFFFAOYSA-N 1 1 241.334 3.776 20 30 BHEDMO C=CC[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000345343072 354619234 /nfs/dbraw/zinc/61/92/34/354619234.db2.gz IPIAHAQKTMZOLD-UHFFFAOYSA-N 1 1 241.334 3.776 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(C)(C)C#N ZINC000345733181 354747541 /nfs/dbraw/zinc/74/75/41/354747541.db2.gz KFIRDKQHYYYTTB-UHFFFAOYSA-N 1 1 249.402 3.578 20 30 BHEDMO C[C@H]([N@@H+](CCC#N)Cc1ccccc1)C(C)(C)C ZINC000346028655 354830183 /nfs/dbraw/zinc/83/01/83/354830183.db2.gz HFLKMUHVIJSQAQ-AWEZNQCLSA-N 1 1 244.382 3.837 20 30 BHEDMO C[C@@H]([N@@H+](CCC#N)Cc1ccccc1)C(C)(C)C ZINC000346028664 354829977 /nfs/dbraw/zinc/82/99/77/354829977.db2.gz HFLKMUHVIJSQAQ-CQSZACIVSA-N 1 1 244.382 3.837 20 30 BHEDMO C[N@@H+](CCC#N)CC1CCC(C(C)(C)C)CC1 ZINC000346136216 354870246 /nfs/dbraw/zinc/87/02/46/354870246.db2.gz HARNKOOKSDJQIZ-UHFFFAOYSA-N 1 1 236.403 3.684 20 30 BHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCC#N)c1 ZINC000346297028 354877930 /nfs/dbraw/zinc/87/79/30/354877930.db2.gz QYEFBXGKOWTBIP-AWEZNQCLSA-N 1 1 230.355 3.600 20 30 BHEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCC#N)c1 ZINC000346297029 354877951 /nfs/dbraw/zinc/87/79/51/354877951.db2.gz QYEFBXGKOWTBIP-CQSZACIVSA-N 1 1 230.355 3.600 20 30 BHEDMO C[N@@H+](C[C@H]1CC=CCC1)CC(C)(C)CCC#N ZINC000346315806 354893717 /nfs/dbraw/zinc/89/37/17/354893717.db2.gz AMVCPQAEVZTREO-AWEZNQCLSA-N 1 1 234.387 3.604 20 30 BHEDMO C[N@@H+](C[C@@H]1CC=CCC1)CC(C)(C)CCC#N ZINC000346315809 354893895 /nfs/dbraw/zinc/89/38/95/354893895.db2.gz AMVCPQAEVZTREO-CQSZACIVSA-N 1 1 234.387 3.604 20 30 BHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC(C)(C)C1 ZINC000346339312 386194798 /nfs/dbraw/zinc/19/47/98/386194798.db2.gz SBBIHILLRCLRRB-CYBMUJFWSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC(C)(C)C1 ZINC000346339314 386193935 /nfs/dbraw/zinc/19/39/35/386193935.db2.gz SBBIHILLRCLRRB-ZDUSSCGKSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)(C)[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000346359318 354916993 /nfs/dbraw/zinc/91/69/93/354916993.db2.gz HVTLEECCJYFHPC-CYBMUJFWSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)(C)[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000346359321 354917023 /nfs/dbraw/zinc/91/70/23/354917023.db2.gz HVTLEECCJYFHPC-ZDUSSCGKSA-N 1 1 236.403 3.684 20 30 BHEDMO CCC1(CC)CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000346486503 354958611 /nfs/dbraw/zinc/95/86/11/354958611.db2.gz KXDKXYCAPYRNKT-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CCC[N@@H+](CCC#N)[C@@H](CC)c1ccccc1 ZINC000346589572 354986055 /nfs/dbraw/zinc/98/60/55/354986055.db2.gz COPFHIPVNPYNQF-HNNXBMFYSA-N 1 1 230.355 3.763 20 30 BHEDMO CCC[N@@H+](CCC#N)[C@H](CC)c1ccccc1 ZINC000346589588 354985587 /nfs/dbraw/zinc/98/55/87/354985587.db2.gz COPFHIPVNPYNQF-OAHLLOKOSA-N 1 1 230.355 3.763 20 30 BHEDMO CCC[N@@H+](CCCC#N)[C@H]1CCc2ccccc21 ZINC000346597819 354988358 /nfs/dbraw/zinc/98/83/58/354988358.db2.gz WOWPHMOUVFJHOB-INIZCTEOSA-N 1 1 242.366 3.690 20 30 BHEDMO CCC[N@@H+](CCCC#N)[C@@H]1CCc2ccccc21 ZINC000346597820 354988374 /nfs/dbraw/zinc/98/83/74/354988374.db2.gz WOWPHMOUVFJHOB-MRXNPFEDSA-N 1 1 242.366 3.690 20 30 BHEDMO N#CC1(C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000346670420 355007356 /nfs/dbraw/zinc/00/73/56/355007356.db2.gz UVMLUJYTGLJSJS-UHFFFAOYSA-N 1 1 246.398 3.727 20 30 BHEDMO Cc1cccc(C[N@H+](CCCC#N)CC(C)C)c1 ZINC000346735250 355089678 /nfs/dbraw/zinc/08/96/78/355089678.db2.gz QSKVMCUYKQRDER-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO CC(C)C[N@@H+](CCCC#N)Cc1ccccc1F ZINC000346772672 135972736 /nfs/dbraw/zinc/97/27/36/135972736.db2.gz AFHMFXIBRWZBDN-UHFFFAOYSA-N 1 1 248.345 3.587 20 30 BHEDMO Cc1ccc(F)c(C[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000347127584 386237157 /nfs/dbraw/zinc/23/71/57/386237157.db2.gz LVHKFJCFUDSULA-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(C[N@@H+](C)CCC(C)(C)C#N)ccc1F ZINC000347128167 386238239 /nfs/dbraw/zinc/23/82/39/386238239.db2.gz WLIHOCIKRNKJHC-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(F)ccc1C[N@@H+](C)CCC(C)(C)C#N ZINC000347143745 386261046 /nfs/dbraw/zinc/26/10/46/386261046.db2.gz ALSVQXOLXJIUJK-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC2(CCCC2)C1 ZINC000347177425 386269244 /nfs/dbraw/zinc/26/92/44/386269244.db2.gz XFVPEJWGMBBJMD-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000347311626 387320439 /nfs/dbraw/zinc/32/04/39/387320439.db2.gz PCMGAYRYUNEEGS-HNNXBMFYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000347311627 387320655 /nfs/dbraw/zinc/32/06/55/387320655.db2.gz PCMGAYRYUNEEGS-OAHLLOKOSA-N 1 1 242.366 3.569 20 30 BHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000347318529 387330990 /nfs/dbraw/zinc/33/09/90/387330990.db2.gz XBFGWVKBMQNIJO-HNNXBMFYSA-N 1 1 242.366 3.569 20 30 BHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000347318536 133825668 /nfs/dbraw/zinc/82/56/68/133825668.db2.gz XBFGWVKBMQNIJO-OAHLLOKOSA-N 1 1 242.366 3.569 20 30 BHEDMO C=CCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347455647 386413490 /nfs/dbraw/zinc/41/34/90/386413490.db2.gz RVHBHUURFJLYSR-UHFFFAOYSA-N 1 1 221.731 3.622 20 30 BHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC1(C#N)CC1 ZINC000347456348 386412161 /nfs/dbraw/zinc/41/21/61/386412161.db2.gz DXAXIBVNYQTMTM-HNNXBMFYSA-N 1 1 242.366 3.763 20 30 BHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC1(C#N)CC1 ZINC000347456349 386411132 /nfs/dbraw/zinc/41/11/32/386411132.db2.gz DXAXIBVNYQTMTM-OAHLLOKOSA-N 1 1 242.366 3.763 20 30 BHEDMO C=C(C)CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347463055 386414913 /nfs/dbraw/zinc/41/49/13/386414913.db2.gz VDMPPCYWLMCTEH-UHFFFAOYSA-N 1 1 221.731 3.622 20 30 BHEDMO C=C(C)CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347463055 386414910 /nfs/dbraw/zinc/41/49/10/386414910.db2.gz VDMPPCYWLMCTEH-UHFFFAOYSA-N 1 1 221.731 3.622 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000347476924 386435681 /nfs/dbraw/zinc/43/56/81/386435681.db2.gz JRRVJBRONSZXCV-HNNXBMFYSA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000347476925 386436598 /nfs/dbraw/zinc/43/65/98/386436598.db2.gz JRRVJBRONSZXCV-OAHLLOKOSA-N 1 1 246.398 3.725 20 30 BHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC2(C#N)CC2)c1 ZINC000347497350 386424822 /nfs/dbraw/zinc/42/48/22/386424822.db2.gz YTJFSBJFUHJLTN-AWEZNQCLSA-N 1 1 242.366 3.600 20 30 BHEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC2(C#N)CC2)c1 ZINC000347497353 386425402 /nfs/dbraw/zinc/42/54/02/386425402.db2.gz YTJFSBJFUHJLTN-CQSZACIVSA-N 1 1 242.366 3.600 20 30 BHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCCC#N ZINC000347623344 355238265 /nfs/dbraw/zinc/23/82/65/355238265.db2.gz XRRPIIARVMAIRS-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCCC#N ZINC000347623345 355238246 /nfs/dbraw/zinc/23/82/46/355238246.db2.gz XRRPIIARVMAIRS-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCCC#N ZINC000347623347 355238179 /nfs/dbraw/zinc/23/81/79/355238179.db2.gz XRRPIIARVMAIRS-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCCC#N ZINC000347623348 355238093 /nfs/dbraw/zinc/23/80/93/355238093.db2.gz XRRPIIARVMAIRS-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[N@H+](CCC#N)CCCC1CCCCC1 ZINC000347644977 136000224 /nfs/dbraw/zinc/00/02/24/136000224.db2.gz DBKFIUOUFDXORP-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1)CC1(SC)CC1 ZINC000347650807 136001203 /nfs/dbraw/zinc/00/12/03/136001203.db2.gz ODOUFUUCMCRCII-UHFFFAOYSA-N 1 1 247.407 3.570 20 30 BHEDMO CC[N@@H+](CCC#N)CCC1CCCCCC1 ZINC000347655826 136002023 /nfs/dbraw/zinc/00/20/23/136002023.db2.gz RGUFFLPDVJQETR-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)CCCC1CCCCC1 ZINC000347768850 136008826 /nfs/dbraw/zinc/00/88/26/136008826.db2.gz HJUKXMOGLMOOHK-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@@H](CC#N)[N@@H+](C)CCCC1CCCCC1 ZINC000347768852 136008936 /nfs/dbraw/zinc/00/89/36/136008936.db2.gz HJUKXMOGLMOOHK-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)CCC1CCCCCC1 ZINC000347785568 136009785 /nfs/dbraw/zinc/00/97/85/136009785.db2.gz QRMFWGHOAFPUBE-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@@H](CC#N)[N@@H+](C)CCC1CCCCCC1 ZINC000347785572 136009731 /nfs/dbraw/zinc/00/97/31/136009731.db2.gz QRMFWGHOAFPUBE-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc2occc2c1 ZINC000347869986 534710285 /nfs/dbraw/zinc/71/02/85/534710285.db2.gz FJBLTQDBFHRRMK-UHFFFAOYSA-N 1 1 229.323 3.831 20 30 BHEDMO C=CC[N@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000348056159 136031873 /nfs/dbraw/zinc/03/18/73/136031873.db2.gz NUEMOINXERUCSY-UHFFFAOYSA-N 1 1 237.293 3.775 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2occc2c1)C1CC1 ZINC000348263770 136058086 /nfs/dbraw/zinc/05/80/86/136058086.db2.gz VGVGHXQHHJTCGJ-UHFFFAOYSA-N 1 1 227.307 3.583 20 30 BHEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348524909 387285587 /nfs/dbraw/zinc/28/55/87/387285587.db2.gz KRFKRFAWPVQRGL-KRWDZBQOSA-N 1 1 248.329 3.505 20 30 BHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348524910 387285442 /nfs/dbraw/zinc/28/54/42/387285442.db2.gz KRFKRFAWPVQRGL-QGZVFWFLSA-N 1 1 248.329 3.505 20 30 BHEDMO CCC1CCC([N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000349679777 355409777 /nfs/dbraw/zinc/40/97/77/355409777.db2.gz NTISCGMRJCHNAL-UHFFFAOYSA-N 1 1 246.354 3.552 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000349839722 355491969 /nfs/dbraw/zinc/49/19/69/355491969.db2.gz MJAVQRRBCFAYAE-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO CC[N@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000349839722 355491968 /nfs/dbraw/zinc/49/19/68/355491968.db2.gz MJAVQRRBCFAYAE-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO C=CC[N@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000350216992 355650853 /nfs/dbraw/zinc/65/08/53/355650853.db2.gz BFFSNQYWAXUCSX-UHFFFAOYSA-N 1 1 245.297 3.722 20 30 BHEDMO C=CC[N@@H+](Cc1cnc(C2CCC2)s1)C1CC1 ZINC000350261968 136357587 /nfs/dbraw/zinc/35/75/87/136357587.db2.gz GVKOVTPEDFWCQC-UHFFFAOYSA-N 1 1 248.395 3.561 20 30 BHEDMO C=CC[N@H+](Cc1cnc(C2CCC2)s1)C1CC1 ZINC000350261968 136357586 /nfs/dbraw/zinc/35/75/86/136357586.db2.gz GVKOVTPEDFWCQC-UHFFFAOYSA-N 1 1 248.395 3.561 20 30 BHEDMO C=CC[N@H+](Cc1cccc(Cl)c1F)C1CC1 ZINC000350263651 136357446 /nfs/dbraw/zinc/35/74/46/136357446.db2.gz JEZCVTRSCIBQMD-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@@H+](Cc1cccc(Cl)c1F)C1CC1 ZINC000350263651 136357445 /nfs/dbraw/zinc/35/74/45/136357445.db2.gz JEZCVTRSCIBQMD-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@@H+](Cc1coc2ccccc12)C1CC1 ZINC000350269216 136357464 /nfs/dbraw/zinc/35/74/64/136357464.db2.gz RGMTWTIXWPLNLF-UHFFFAOYSA-N 1 1 227.307 3.583 20 30 BHEDMO C=CC[N@H+](Cc1c(C)oc2ccccc21)C1CC1 ZINC000350312235 355668086 /nfs/dbraw/zinc/66/80/86/355668086.db2.gz ASGMLYKKKSJXKG-UHFFFAOYSA-N 1 1 241.334 3.892 20 30 BHEDMO CC(C)(C)C[N@@H+](CCCC#N)Cc1ccccc1 ZINC000350698222 355743012 /nfs/dbraw/zinc/74/30/12/355743012.db2.gz AUWTVYYQUTVKMI-UHFFFAOYSA-N 1 1 244.382 3.838 20 30 BHEDMO CCCC1CCC([N@@H+](CCC#N)C(C)C)CC1 ZINC000350750839 136362953 /nfs/dbraw/zinc/36/29/53/136362953.db2.gz ZLNOYGJCMHKFOK-UHFFFAOYSA-N 1 1 236.403 3.969 20 30 BHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000350948971 358146621 /nfs/dbraw/zinc/14/66/21/358146621.db2.gz JPUFWQJMYHJQIX-KRWDZBQOSA-N 1 1 248.329 3.505 20 30 BHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000350948972 358146499 /nfs/dbraw/zinc/14/64/99/358146499.db2.gz JPUFWQJMYHJQIX-QGZVFWFLSA-N 1 1 248.329 3.505 20 30 BHEDMO C=CCOc1cccc(C[N@H+](C(C)C)C2CC2)c1 ZINC000351003673 136366725 /nfs/dbraw/zinc/36/67/25/136366725.db2.gz VFCKBPCKGOISPP-UHFFFAOYSA-N 1 1 245.366 3.624 20 30 BHEDMO C=CCOc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000351080176 355945827 /nfs/dbraw/zinc/94/58/27/355945827.db2.gz TYUOKEZKFHGVEQ-UHFFFAOYSA-N 1 1 245.366 3.624 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000351267406 355969763 /nfs/dbraw/zinc/96/97/63/355969763.db2.gz GSZXOSLBWNYDGL-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000351267407 355969321 /nfs/dbraw/zinc/96/93/21/355969321.db2.gz GSZXOSLBWNYDGL-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000351267408 355969354 /nfs/dbraw/zinc/96/93/54/355969354.db2.gz GSZXOSLBWNYDGL-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000351267409 355969646 /nfs/dbraw/zinc/96/96/46/355969646.db2.gz GSZXOSLBWNYDGL-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000351395607 136244864 /nfs/dbraw/zinc/24/48/64/136244864.db2.gz JHALDLAIESCONW-CYBMUJFWSA-N 1 1 242.366 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C[N@@H+](CCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000353229996 386652907 /nfs/dbraw/zinc/65/29/07/386652907.db2.gz MRSXMFAUPWCNEB-HOTGVXAUSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000353229997 386651777 /nfs/dbraw/zinc/65/17/77/386651777.db2.gz MRSXMFAUPWCNEB-HZPDHXFCSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000353229998 386651494 /nfs/dbraw/zinc/65/14/94/386651494.db2.gz MRSXMFAUPWCNEB-JKSUJKDBSA-N 1 1 242.366 3.558 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccsc1C ZINC000353239643 134162670 /nfs/dbraw/zinc/16/26/70/134162670.db2.gz ZTVRBQZLDIOPCP-CYBMUJFWSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccsc1C ZINC000353239646 534697296 /nfs/dbraw/zinc/69/72/96/534697296.db2.gz ZTVRBQZLDIOPCP-ZDUSSCGKSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000353319280 135086252 /nfs/dbraw/zinc/08/62/52/135086252.db2.gz CQCFGEJZKAGEIZ-UHFFFAOYSA-N 1 1 227.760 3.554 20 30 BHEDMO C=C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000353320429 134163277 /nfs/dbraw/zinc/16/32/77/134163277.db2.gz LVJZWQQLKYVXHV-UHFFFAOYSA-N 1 1 248.395 3.563 20 30 BHEDMO CC[N@@H+](CCC#N)C[C@H](c1ccccc1)C(C)C ZINC000353385927 135159125 /nfs/dbraw/zinc/15/91/25/135159125.db2.gz VEWZLYMARWRRLG-INIZCTEOSA-N 1 1 244.382 3.662 20 30 BHEDMO CC[N@@H+](CCC#N)C[C@@H](c1ccccc1)C(C)C ZINC000353385989 135158720 /nfs/dbraw/zinc/15/87/20/135158720.db2.gz VEWZLYMARWRRLG-MRXNPFEDSA-N 1 1 244.382 3.662 20 30 BHEDMO N#CCC[N@@H+](CC1CC1)CC1CCCCCC1 ZINC000353418138 136265398 /nfs/dbraw/zinc/26/53/98/136265398.db2.gz ZVNNXBWJIFIVIZ-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO Cc1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000353418258 136265360 /nfs/dbraw/zinc/26/53/60/136265360.db2.gz BMFBRYGXUSAOGT-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000353418258 136265359 /nfs/dbraw/zinc/26/53/59/136265359.db2.gz BMFBRYGXUSAOGT-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000353418518 136265407 /nfs/dbraw/zinc/26/54/07/136265407.db2.gz FFIIMXMJODBEGI-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000353418518 136265406 /nfs/dbraw/zinc/26/54/06/136265406.db2.gz FFIIMXMJODBEGI-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353419578 136265371 /nfs/dbraw/zinc/26/53/71/136265371.db2.gz NBICBQCEAWTVHD-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000353419814 136265458 /nfs/dbraw/zinc/26/54/58/136265458.db2.gz COXSULFGYFCBFG-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO Cc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000353419814 136265457 /nfs/dbraw/zinc/26/54/57/136265457.db2.gz COXSULFGYFCBFG-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CC=CCC1 ZINC000353425555 136265328 /nfs/dbraw/zinc/26/53/28/136265328.db2.gz YLLSSEAJBSHYOK-HNNXBMFYSA-N 1 1 234.387 3.604 20 30 BHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CC=CCC1 ZINC000353425556 136265513 /nfs/dbraw/zinc/26/55/13/136265513.db2.gz YLLSSEAJBSHYOK-OAHLLOKOSA-N 1 1 234.387 3.604 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1 ZINC000353437278 535020809 /nfs/dbraw/zinc/02/08/09/535020809.db2.gz QNQNFPZCMCTYLG-UHFFFAOYSA-N 1 1 244.382 3.838 20 30 BHEDMO CC(C)(C)[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000353457062 134163858 /nfs/dbraw/zinc/16/38/58/134163858.db2.gz YLSIMLJIDOEHOP-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000353457068 535075959 /nfs/dbraw/zinc/07/59/59/535075959.db2.gz YLSIMLJIDOEHOP-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000353457583 134163850 /nfs/dbraw/zinc/16/38/50/134163850.db2.gz ZTRNQSYPWYRHGB-CYBMUJFWSA-N 1 1 248.395 3.630 20 30 BHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000353457585 535074798 /nfs/dbraw/zinc/07/47/98/535074798.db2.gz ZTRNQSYPWYRHGB-ZDUSSCGKSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000353473048 134163729 /nfs/dbraw/zinc/16/37/29/134163729.db2.gz QFMBHGMCKKPGKY-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000353473049 134164104 /nfs/dbraw/zinc/16/41/04/134164104.db2.gz QFMBHGMCKKPGKY-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC1(CC)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000353589199 134164656 /nfs/dbraw/zinc/16/46/56/134164656.db2.gz PNCLOVZTEDJQKF-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCC1(CC)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000353614601 387818246 /nfs/dbraw/zinc/81/82/46/387818246.db2.gz SSUNJLDAYPTYES-UHFFFAOYSA-N 1 1 248.395 3.632 20 30 BHEDMO C=CC[C@@H](C)[C@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000353620753 134164623 /nfs/dbraw/zinc/16/46/23/134164623.db2.gz JERSEFBJTFUGAC-NEPJUHHUSA-N 1 1 230.355 3.972 20 30 BHEDMO C=CC[C@H](C)[C@@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000353620755 134164820 /nfs/dbraw/zinc/16/48/20/134164820.db2.gz JERSEFBJTFUGAC-NWDGAFQWSA-N 1 1 230.355 3.972 20 30 BHEDMO C=CC[C@H](C)[C@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000353620757 534360377 /nfs/dbraw/zinc/36/03/77/534360377.db2.gz JERSEFBJTFUGAC-RYUDHWBXSA-N 1 1 230.355 3.972 20 30 BHEDMO C=CC[C@@H](C)[C@@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000353620758 134164556 /nfs/dbraw/zinc/16/45/56/134164556.db2.gz JERSEFBJTFUGAC-VXGBXAGGSA-N 1 1 230.355 3.972 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cnccc1C ZINC000353662917 136265637 /nfs/dbraw/zinc/26/56/37/136265637.db2.gz ZYFDMBYYUIDTFQ-UHFFFAOYSA-N 1 1 232.371 3.568 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000353671085 171198902 /nfs/dbraw/zinc/19/89/02/171198902.db2.gz CHTISHBPGGOYDE-INIZCTEOSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000353671086 387829654 /nfs/dbraw/zinc/82/96/54/387829654.db2.gz CHTISHBPGGOYDE-MRXNPFEDSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353690455 171198704 /nfs/dbraw/zinc/19/87/04/171198704.db2.gz RNPHTCIGDRYLPA-INIZCTEOSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353690456 387829897 /nfs/dbraw/zinc/82/98/97/387829897.db2.gz RNPHTCIGDRYLPA-MRXNPFEDSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000353691715 171199301 /nfs/dbraw/zinc/19/93/01/171199301.db2.gz UOJHIIJWMUVCBP-INIZCTEOSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000353691716 387829082 /nfs/dbraw/zinc/82/90/82/387829082.db2.gz UOJHIIJWMUVCBP-MRXNPFEDSA-N 1 1 242.366 3.570 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000353696883 534708158 /nfs/dbraw/zinc/70/81/58/534708158.db2.gz CKVUCEYHKWSTNM-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(C)sc1C ZINC000353700034 534709743 /nfs/dbraw/zinc/70/97/43/534709743.db2.gz VBCSJGCQFFGIMZ-UHFFFAOYSA-N 1 1 223.385 3.763 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000353705749 534708545 /nfs/dbraw/zinc/70/85/45/534708545.db2.gz ADVBPDAAERZCOG-UHFFFAOYSA-N 1 1 247.313 3.970 20 30 BHEDMO C=CCCC[N@H+](C)Cc1coc2ccccc12 ZINC000353738057 534710239 /nfs/dbraw/zinc/71/02/39/534710239.db2.gz KICZPRJXXOWEBK-UHFFFAOYSA-N 1 1 229.323 3.831 20 30 BHEDMO CC(C)[C@H]1[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000353745261 134164937 /nfs/dbraw/zinc/16/49/37/134164937.db2.gz ICIKWARDRFNXOX-CYBMUJFWSA-N 1 1 236.403 3.683 20 30 BHEDMO CC(C)[C@@H]1[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000353745262 134165241 /nfs/dbraw/zinc/16/52/41/134165241.db2.gz ICIKWARDRFNXOX-ZDUSSCGKSA-N 1 1 236.403 3.683 20 30 BHEDMO C=CCOc1ccc(C[N@H+](CC)C2CCC2)cc1 ZINC000353813119 534882333 /nfs/dbraw/zinc/88/23/33/534882333.db2.gz HKAWTLHLYDDHJP-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=CCOc1ccccc1C[N@H+](CC)C1CCC1 ZINC000353826438 353825330 /nfs/dbraw/zinc/82/53/30/353825330.db2.gz PFRYMVWJEWJIGP-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000353839743 534996190 /nfs/dbraw/zinc/99/61/90/534996190.db2.gz BDERLCXZLZQNJH-CABCVRRESA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000353839745 534995990 /nfs/dbraw/zinc/99/59/90/534995990.db2.gz BDERLCXZLZQNJH-GJZGRUSLSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000353839747 534996692 /nfs/dbraw/zinc/99/66/92/534996692.db2.gz BDERLCXZLZQNJH-LSDHHAIUSA-N 1 1 248.414 3.971 20 30 BHEDMO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000353865311 387834527 /nfs/dbraw/zinc/83/45/27/387834527.db2.gz KSQLUYYXKOZXGW-CYBMUJFWSA-N 1 1 248.329 3.635 20 30 BHEDMO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000353865311 387834522 /nfs/dbraw/zinc/83/45/22/387834522.db2.gz KSQLUYYXKOZXGW-CYBMUJFWSA-N 1 1 248.329 3.635 20 30 BHEDMO C=CCOc1cccc(C[N@H+](CC)C2CCC2)c1 ZINC000353866605 134165273 /nfs/dbraw/zinc/16/52/73/134165273.db2.gz IWOOIOOOWSFPBY-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353880143 177130394 /nfs/dbraw/zinc/13/03/94/177130394.db2.gz JDMWPVXEWRINBL-KBPBESRZSA-N 1 1 242.366 3.569 20 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20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000368405380 534982204 /nfs/dbraw/zinc/98/22/04/534982204.db2.gz RVAKFXQXGVKBRW-CQSZACIVSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCC12CCCCC2 ZINC000368470463 534995250 /nfs/dbraw/zinc/99/52/50/534995250.db2.gz MHWOYKJULCPVGP-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368693322 534981047 /nfs/dbraw/zinc/98/10/47/534981047.db2.gz RKWCAJWZPDKRFA-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCCCC#N)cc1 ZINC000368877099 134220520 /nfs/dbraw/zinc/22/05/20/134220520.db2.gz OGJJBODRUJEVDY-INIZCTEOSA-N 1 1 242.366 3.826 20 30 BHEDMO Cc1ccc([C@H]2CCC[N@H+]2CCCCC#N)cc1 ZINC000368877100 134220537 /nfs/dbraw/zinc/22/05/37/134220537.db2.gz OGJJBODRUJEVDY-MRXNPFEDSA-N 1 1 242.366 3.826 20 30 BHEDMO N#Cc1ccc(C[N@H+]2CCC23CCCCC3)s1 ZINC000369325949 388685516 /nfs/dbraw/zinc/68/55/16/388685516.db2.gz BLDAAFDBDPOUQU-UHFFFAOYSA-N 1 1 246.379 3.528 20 30 BHEDMO CC1CCC2(CC[N@@H+](CCCCC#N)C2)CC1 ZINC000369329578 134222540 /nfs/dbraw/zinc/22/25/40/134222540.db2.gz MBTOHZDMOFRVJS-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC2(CC2)C1 ZINC000369720847 387065395 /nfs/dbraw/zinc/06/53/95/387065395.db2.gz BMNLXFISWCVCKL-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CC[C@H]1c1ccccc1F ZINC000371204119 534988607 /nfs/dbraw/zinc/98/86/07/534988607.db2.gz FNVRDXWTBISZFF-AWEZNQCLSA-N 1 1 246.329 3.512 20 30 BHEDMO CC(C)(C#N)CC[N@@H+]1CC[C@H]1c1ccccc1F ZINC000371204119 534988603 /nfs/dbraw/zinc/98/86/03/534988603.db2.gz FNVRDXWTBISZFF-AWEZNQCLSA-N 1 1 246.329 3.512 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H]1c1ccccc1F ZINC000371204120 534988231 /nfs/dbraw/zinc/98/82/31/534988231.db2.gz FNVRDXWTBISZFF-CQSZACIVSA-N 1 1 246.329 3.512 20 30 BHEDMO CC(C)(C#N)CC[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000371204120 534988222 /nfs/dbraw/zinc/98/82/22/534988222.db2.gz FNVRDXWTBISZFF-CQSZACIVSA-N 1 1 246.329 3.512 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000371206063 134227951 /nfs/dbraw/zinc/22/79/51/134227951.db2.gz CYEUVEVAVDBZOB-GFCCVEGCSA-N 1 1 236.384 3.555 20 30 BHEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000371206063 134227950 /nfs/dbraw/zinc/22/79/50/134227950.db2.gz CYEUVEVAVDBZOB-GFCCVEGCSA-N 1 1 236.384 3.555 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000371206067 134227808 /nfs/dbraw/zinc/22/78/08/134227808.db2.gz CYEUVEVAVDBZOB-LBPRGKRZSA-N 1 1 236.384 3.555 20 30 BHEDMO C=C(C)C[N@@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000371206067 134227807 /nfs/dbraw/zinc/22/78/07/134227807.db2.gz CYEUVEVAVDBZOB-LBPRGKRZSA-N 1 1 236.384 3.555 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000371207578 534985699 /nfs/dbraw/zinc/98/56/99/534985699.db2.gz LDAZJIDKQXOTTG-CYBMUJFWSA-N 1 1 246.354 3.746 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1c1ccco1 ZINC000371207579 534985628 /nfs/dbraw/zinc/98/56/28/534985628.db2.gz LDAZJIDKQXOTTG-ZDUSSCGKSA-N 1 1 246.354 3.746 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000371208310 534984700 /nfs/dbraw/zinc/98/47/00/534984700.db2.gz HSGKUARVPOKBPC-CABCVRRESA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000371208311 534984671 /nfs/dbraw/zinc/98/46/71/534984671.db2.gz HSGKUARVPOKBPC-GJZGRUSLSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000371208312 534984329 /nfs/dbraw/zinc/98/43/29/534984329.db2.gz HSGKUARVPOKBPC-HUUCEWRRSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000371208314 534984892 /nfs/dbraw/zinc/98/48/92/534984892.db2.gz HSGKUARVPOKBPC-LSDHHAIUSA-N 1 1 248.414 3.971 20 30 BHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)CC12CCC2 ZINC000371432537 134228831 /nfs/dbraw/zinc/22/88/31/134228831.db2.gz KEMDOHJTLVSMOV-AWEZNQCLSA-N 1 1 248.414 3.828 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)CC12CCC2 ZINC000371432540 134228855 /nfs/dbraw/zinc/22/88/55/134228855.db2.gz KEMDOHJTLVSMOV-CQSZACIVSA-N 1 1 248.414 3.828 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000371537700 534986127 /nfs/dbraw/zinc/98/61/27/534986127.db2.gz JGEXPDLDTPANBP-CYBMUJFWSA-N 1 1 235.375 3.517 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000371537701 534985150 /nfs/dbraw/zinc/98/51/50/534985150.db2.gz JGEXPDLDTPANBP-ZDUSSCGKSA-N 1 1 235.375 3.517 20 30 BHEDMO N#CCCC[N@H+]1CCC[C@H]1/C=C/c1cccs1 ZINC000372025139 134230223 /nfs/dbraw/zinc/23/02/23/134230223.db2.gz JMAPJLDJMPLVBN-GWJCSSMESA-N 1 1 246.379 3.529 20 30 BHEDMO N#CCCC[N@H+]1CCC[C@@H]1/C=C/c1cccs1 ZINC000372025142 134230056 /nfs/dbraw/zinc/23/00/56/134230056.db2.gz JMAPJLDJMPLVBN-SBDDDAINSA-N 1 1 246.379 3.529 20 30 BHEDMO N#CCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000372621542 134232304 /nfs/dbraw/zinc/23/23/04/134232304.db2.gz WAGRFENWJMBNDG-HNNXBMFYSA-N 1 1 228.339 3.517 20 30 BHEDMO N#CCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000372621551 134232408 /nfs/dbraw/zinc/23/24/08/134232408.db2.gz WAGRFENWJMBNDG-OAHLLOKOSA-N 1 1 228.339 3.517 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC12CCC2 ZINC000373105008 534980161 /nfs/dbraw/zinc/98/01/61/534980161.db2.gz TZLMBBRCSUMHTC-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC2(CCC2)C1 ZINC000373412613 534980514 /nfs/dbraw/zinc/98/05/14/534980514.db2.gz MTEUATPHZDHOHM-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCCC2(CCC2)C1 ZINC000373430036 534983233 /nfs/dbraw/zinc/98/32/33/534983233.db2.gz FLCCKRGVKBZPMP-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCCC2(CCC2)C1 ZINC000373483805 534995419 /nfs/dbraw/zinc/99/54/19/534995419.db2.gz JZRNTJBZOZZPLL-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCC#N ZINC000374174069 134236167 /nfs/dbraw/zinc/23/61/67/134236167.db2.gz IMACMZCZDFNEBX-GDBMZVCRSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCC#N ZINC000374174072 134236014 /nfs/dbraw/zinc/23/60/14/134236014.db2.gz IMACMZCZDFNEBX-GOEBONIOSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCC#N ZINC000374174073 134236080 /nfs/dbraw/zinc/23/60/80/134236080.db2.gz IMACMZCZDFNEBX-HOCLYGCPSA-N 1 1 242.366 3.558 20 30 BHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCC#N ZINC000374174074 134235974 /nfs/dbraw/zinc/23/59/74/134235974.db2.gz IMACMZCZDFNEBX-ZBFHGGJFSA-N 1 1 242.366 3.558 20 30 BHEDMO C[N@@H+](CCCCC#N)C1CC(c2ccccc2)C1 ZINC000374562782 536328936 /nfs/dbraw/zinc/32/89/36/536328936.db2.gz XMYMMWYFOGJMTJ-UHFFFAOYSA-N 1 1 242.366 3.558 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374618219 398323876 /nfs/dbraw/zinc/32/38/76/398323876.db2.gz KSFUBROWEUPCHB-LLVKDONJSA-N 1 1 247.304 3.617 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374618220 398323912 /nfs/dbraw/zinc/32/39/12/398323912.db2.gz KSFUBROWEUPCHB-NSHDSACASA-N 1 1 247.304 3.617 20 30 BHEDMO N#CCCCC[N@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000375256459 134238764 /nfs/dbraw/zinc/23/87/64/134238764.db2.gz RLDGWPVZJKMHKL-HNNXBMFYSA-N 1 1 234.387 3.582 20 30 BHEDMO N#CCCCC[N@H+]1CC[C@H](CC2CCCC2)C1 ZINC000375256460 134238521 /nfs/dbraw/zinc/23/85/21/134238521.db2.gz RLDGWPVZJKMHKL-OAHLLOKOSA-N 1 1 234.387 3.582 20 30 BHEDMO Cc1cc([C@@H]2CC[N@@H+](CCCCC#N)C2)cs1 ZINC000375405347 134239417 /nfs/dbraw/zinc/23/94/17/134239417.db2.gz SHWCMSFGHCMPML-CYBMUJFWSA-N 1 1 248.395 3.540 20 30 BHEDMO Cc1cc([C@H]2CC[N@@H+](CCCCC#N)C2)cs1 ZINC000375405352 134239393 /nfs/dbraw/zinc/23/93/93/134239393.db2.gz SHWCMSFGHCMPML-ZDUSSCGKSA-N 1 1 248.395 3.540 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000377604711 534980197 /nfs/dbraw/zinc/98/01/97/534980197.db2.gz IRLKIZXGPYHTOY-HNNXBMFYSA-N 1 1 248.414 3.828 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000377604712 534979977 /nfs/dbraw/zinc/97/99/77/534979977.db2.gz IRLKIZXGPYHTOY-OAHLLOKOSA-N 1 1 248.414 3.828 20 30 BHEDMO N#CCCCC[N@H+]1CCC2(C1)CCCCCC2 ZINC000377994012 134245370 /nfs/dbraw/zinc/24/53/70/134245370.db2.gz DVMWAJOLRILYQO-UHFFFAOYSA-N 1 1 234.387 3.727 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000378141718 534995908 /nfs/dbraw/zinc/99/59/08/534995908.db2.gz QQUYGPTUYOEAAV-AWEZNQCLSA-N 1 1 246.398 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000378141719 534996747 /nfs/dbraw/zinc/99/67/47/534996747.db2.gz QQUYGPTUYOEAAV-CQSZACIVSA-N 1 1 246.398 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000378348285 534998312 /nfs/dbraw/zinc/99/83/12/534998312.db2.gz XYWQWNAIGYCEMU-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000378348286 534998754 /nfs/dbraw/zinc/99/87/54/534998754.db2.gz XYWQWNAIGYCEMU-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000378348287 534997770 /nfs/dbraw/zinc/99/77/70/534997770.db2.gz XYWQWNAIGYCEMU-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H]2CCCCC[C@H]21 ZINC000378348288 534998832 /nfs/dbraw/zinc/99/88/32/534998832.db2.gz XYWQWNAIGYCEMU-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO N#CCCCC[N@H+]1CCCC12CCCCCC2 ZINC000378467399 134246191 /nfs/dbraw/zinc/24/61/91/134246191.db2.gz SCKXYBMDQRXRHJ-UHFFFAOYSA-N 1 1 234.387 3.869 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378743210 345550087 /nfs/dbraw/zinc/55/00/87/345550087.db2.gz HZKMQZJJQJOJOY-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000378743213 345549936 /nfs/dbraw/zinc/54/99/36/345549936.db2.gz HZKMQZJJQJOJOY-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000378743216 345549855 /nfs/dbraw/zinc/54/98/55/345549855.db2.gz HZKMQZJJQJOJOY-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000378743219 346821308 /nfs/dbraw/zinc/82/13/08/346821308.db2.gz HZKMQZJJQJOJOY-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO C=CCCCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000379769477 712397767 /nfs/dbraw/zinc/39/77/67/712397767.db2.gz OPFMWRRGEPSCJU-LLVKDONJSA-N 1 1 237.318 3.538 20 30 BHEDMO C=CCCCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000379769478 712397944 /nfs/dbraw/zinc/39/79/44/712397944.db2.gz OPFMWRRGEPSCJU-NSHDSACASA-N 1 1 237.318 3.538 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000379918935 343655407 /nfs/dbraw/zinc/65/54/07/343655407.db2.gz PQOQQENOLHSZLF-CYBMUJFWSA-N 1 1 230.355 3.569 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000379918937 343655370 /nfs/dbraw/zinc/65/53/70/343655370.db2.gz PQOQQENOLHSZLF-ZDUSSCGKSA-N 1 1 230.355 3.569 20 30 BHEDMO CC1CCC(C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000380066841 365838295 /nfs/dbraw/zinc/83/82/95/365838295.db2.gz POOVDPSGGXUSLC-UHFFFAOYSA-N 1 1 234.387 3.581 20 30 BHEDMO CC1CCC(C[N@H+](CC#N)C2CCCC2)CC1 ZINC000380066841 365838292 /nfs/dbraw/zinc/83/82/92/365838292.db2.gz POOVDPSGGXUSLC-UHFFFAOYSA-N 1 1 234.387 3.581 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1SC ZINC000380240635 712843358 /nfs/dbraw/zinc/84/33/58/712843358.db2.gz NEJKQAGJRXMADN-JTQLQIEISA-N 1 1 241.787 3.812 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1SC ZINC000380240643 712843355 /nfs/dbraw/zinc/84/33/55/712843355.db2.gz NEJKQAGJRXMADN-SNVBAGLBSA-N 1 1 241.787 3.812 20 30 BHEDMO CCC[N@@H+](CCCC(C)(C)C#N)CC(C)C ZINC000380678188 347231107 /nfs/dbraw/zinc/23/11/07/347231107.db2.gz FGFDDGBJSQHYEH-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000380988222 367331507 /nfs/dbraw/zinc/33/15/07/367331507.db2.gz DJWSVFNSHHFLHD-GASCZTMLSA-N 1 1 248.414 3.828 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000381182193 344483026 /nfs/dbraw/zinc/48/30/26/344483026.db2.gz RTVYSGBCHPBCJM-GFCCVEGCSA-N 1 1 248.345 3.708 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000381182207 344482998 /nfs/dbraw/zinc/48/29/98/344482998.db2.gz RTVYSGBCHPBCJM-LBPRGKRZSA-N 1 1 248.345 3.708 20 30 BHEDMO C=CCCCCC[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000381458873 710639851 /nfs/dbraw/zinc/63/98/51/710639851.db2.gz KHFIFXLQILTCPO-LLVKDONJSA-N 1 1 231.330 3.899 20 30 BHEDMO C=CCCCCC[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000381458876 710640415 /nfs/dbraw/zinc/64/04/15/710640415.db2.gz KHFIFXLQILTCPO-NSHDSACASA-N 1 1 231.330 3.899 20 30 BHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CC(F)F ZINC000383009891 347550451 /nfs/dbraw/zinc/55/04/51/347550451.db2.gz JRBYHXGZFPGROQ-UHFFFAOYSA-N 1 1 246.345 3.682 20 30 BHEDMO CC(C)[N@H+](CCCCC(C)(C)C#N)CC(F)F ZINC000383009891 347550445 /nfs/dbraw/zinc/55/04/45/347550445.db2.gz JRBYHXGZFPGROQ-UHFFFAOYSA-N 1 1 246.345 3.682 20 30 BHEDMO N#CC[N@@H+](CCC1CCCCC1)C1CCCC1 ZINC000383122651 347776887 /nfs/dbraw/zinc/77/68/87/347776887.db2.gz ALXHUDMPPJEPEG-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CC[N@H+](CCC1CCCCC1)C1CCCC1 ZINC000383122651 347776886 /nfs/dbraw/zinc/77/68/86/347776886.db2.gz ALXHUDMPPJEPEG-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO CC(C)[N@@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000383460916 367624235 /nfs/dbraw/zinc/62/42/35/367624235.db2.gz JFQJLLSCKWCBAV-UHFFFAOYSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)C1CCCCC1 ZINC000384076486 367670610 /nfs/dbraw/zinc/67/06/10/367670610.db2.gz WNTAMHQXHJIJKL-KBPBESRZSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@H+](C[C@H](C)C1CCCCC1)C[C@H](C)C#N ZINC000384076487 367671060 /nfs/dbraw/zinc/67/10/60/367671060.db2.gz WNTAMHQXHJIJKL-KGLIPLIRSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)C1CCCCC1 ZINC000384076488 367670979 /nfs/dbraw/zinc/67/09/79/367670979.db2.gz WNTAMHQXHJIJKL-UONOGXRCSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)C1CCCCC1 ZINC000384076489 350176273 /nfs/dbraw/zinc/17/62/73/350176273.db2.gz WNTAMHQXHJIJKL-ZIAGYGMSSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000384285710 367682177 /nfs/dbraw/zinc/68/21/77/367682177.db2.gz MLALGUWHHGVNOF-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000384285711 367681405 /nfs/dbraw/zinc/68/14/05/367681405.db2.gz MLALGUWHHGVNOF-KGLIPLIRSA-N 1 1 236.403 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244.382 3.621 20 30 BHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)CC(C)(C)C ZINC000399093716 323196853 /nfs/dbraw/zinc/19/68/53/323196853.db2.gz XNGKIWINKBVRCU-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO CCC[N@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000399099177 357895904 /nfs/dbraw/zinc/89/59/04/357895904.db2.gz ZPPYKIRSKYJYHV-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000399657153 387561580 /nfs/dbraw/zinc/56/15/80/387561580.db2.gz KFVXQKVYIHQBGI-HZSPNIEDSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@@H]1[C@H](C)C[N@@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000399657154 387561701 /nfs/dbraw/zinc/56/17/01/387561701.db2.gz KFVXQKVYIHQBGI-MCIONIFRSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@H]1[C@@H](C)[N@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000399657155 387562269 /nfs/dbraw/zinc/56/22/69/387562269.db2.gz KFVXQKVYIHQBGI-MGPQQGTHSA-N 1 1 236.403 3.683 20 30 BHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@H]1C ZINC000399657156 387562362 /nfs/dbraw/zinc/56/23/62/387562362.db2.gz 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ZINC000405048738 369442519 /nfs/dbraw/zinc/44/25/19/369442519.db2.gz BYIYLLNTHRCBEQ-ZDUSSCGKSA-N 1 1 242.366 3.556 20 30 BHEDMO CC(C)C[C@H](C)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405048738 369442515 /nfs/dbraw/zinc/44/25/15/369442515.db2.gz BYIYLLNTHRCBEQ-ZDUSSCGKSA-N 1 1 242.366 3.556 20 30 BHEDMO C=CCCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405081825 369444964 /nfs/dbraw/zinc/44/49/64/369444964.db2.gz PWDLPIHWGGULAJ-UHFFFAOYSA-N 1 1 240.350 3.620 20 30 BHEDMO C=CCCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405081825 369444959 /nfs/dbraw/zinc/44/49/59/369444959.db2.gz PWDLPIHWGGULAJ-UHFFFAOYSA-N 1 1 240.350 3.620 20 30 BHEDMO N#CC1(C[NH2+]Cc2ccccc2Cl)CCCC1 ZINC000405129943 351858414 /nfs/dbraw/zinc/85/84/14/351858414.db2.gz MIAYBCBZEMAHTB-UHFFFAOYSA-N 1 1 248.757 3.514 20 30 BHEDMO N#CC1(C[NH2+]Cc2cccc(Cl)c2)CCCC1 ZINC000405130129 351858610 /nfs/dbraw/zinc/85/86/10/351858610.db2.gz MQMNJGPXHZMIEM-UHFFFAOYSA-N 1 1 248.757 3.514 20 30 BHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)cc2)CCCC1 ZINC000405145351 369446558 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/nfs/dbraw/zinc/01/40/61/191014061.db2.gz UKOUFPBWXUCZQK-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO CC[N@@H+](CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000409444851 191012315 /nfs/dbraw/zinc/01/23/15/191012315.db2.gz SALQOIFBYQDFJY-CYBMUJFWSA-N 1 1 230.355 3.597 20 30 BHEDMO CC[N@@H+](CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000409444852 191011197 /nfs/dbraw/zinc/01/11/97/191011197.db2.gz SALQOIFBYQDFJY-ZDUSSCGKSA-N 1 1 230.355 3.597 20 30 BHEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000409444859 191012351 /nfs/dbraw/zinc/01/23/51/191012351.db2.gz OXLSGVFHRAXHLL-UHFFFAOYSA-N 1 1 236.403 3.969 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCCC1 ZINC000409444868 191011115 /nfs/dbraw/zinc/01/11/15/191011115.db2.gz ARLFNTXCCAGPAF-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CC(C)(C)C1=CC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000409445001 191014285 /nfs/dbraw/zinc/01/42/85/191014285.db2.gz OUEGZSIWOISHRX-UHFFFAOYSA-N 1 1 234.387 3.604 20 30 BHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000409445034 191014479 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ZINC000409445295 191012724 /nfs/dbraw/zinc/01/27/24/191012724.db2.gz DMGJIFBPJCMBSG-ZIAGYGMSSA-N 1 1 244.382 3.987 20 30 BHEDMO CC[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000409445344 191013945 /nfs/dbraw/zinc/01/39/45/191013945.db2.gz ONKDDCCVJQGIMG-AWEZNQCLSA-N 1 1 244.382 3.815 20 30 BHEDMO CC[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000409445345 191013912 /nfs/dbraw/zinc/01/39/12/191013912.db2.gz ONKDDCCVJQGIMG-CQSZACIVSA-N 1 1 244.382 3.815 20 30 BHEDMO CC(C)(C)C1=CC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000409445412 191014838 /nfs/dbraw/zinc/01/48/38/191014838.db2.gz YCZJWNSMKXRHSC-UHFFFAOYSA-N 1 1 248.414 3.995 20 30 BHEDMO CC[N@@H+](CCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000409445540 191015194 /nfs/dbraw/zinc/01/51/94/191015194.db2.gz MTPYYCGZKFLNOJ-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[N@@H+](CCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000409445541 191014174 /nfs/dbraw/zinc/01/41/74/191014174.db2.gz MTPYYCGZKFLNOJ-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000410310323 191028254 /nfs/dbraw/zinc/02/82/54/191028254.db2.gz JAJVNCNHSNYTNS-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO CC(C)C[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000410310454 191027669 /nfs/dbraw/zinc/02/76/69/191027669.db2.gz LPDJJZFJHLKRHJ-AWEZNQCLSA-N 1 1 244.382 3.672 20 30 BHEDMO CC(C)C[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000410310455 191027813 /nfs/dbraw/zinc/02/78/13/191027813.db2.gz LPDJJZFJHLKRHJ-CQSZACIVSA-N 1 1 244.382 3.672 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccnn1C(C)C ZINC000410380202 191029813 /nfs/dbraw/zinc/02/98/13/191029813.db2.gz RVLXBNZCYFDSDW-UHFFFAOYSA-N 1 1 249.402 3.642 20 30 BHEDMO CCCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411128512 191160996 /nfs/dbraw/zinc/16/09/96/191160996.db2.gz RQIZRCGVBLUKTR-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411140652 191163192 /nfs/dbraw/zinc/16/31/92/191163192.db2.gz IBKVSEBTPRUIOI-AWEZNQCLSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411140655 191163651 /nfs/dbraw/zinc/16/36/51/191163651.db2.gz IBKVSEBTPRUIOI-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411145129 191163257 /nfs/dbraw/zinc/16/32/57/191163257.db2.gz BMSIHKRTMZUSOF-AWEZNQCLSA-N 1 1 234.387 3.582 20 30 BHEDMO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411145130 191163159 /nfs/dbraw/zinc/16/31/59/191163159.db2.gz BMSIHKRTMZUSOF-CQSZACIVSA-N 1 1 234.387 3.582 20 30 BHEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411145279 191163271 /nfs/dbraw/zinc/16/32/71/191163271.db2.gz LHASTJVDWBHKJV-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCC1(C#N)CCCCC1 ZINC000411152712 191164850 /nfs/dbraw/zinc/16/48/50/191164850.db2.gz HNCNFIBEHXYOKK-UHFFFAOYSA-N 1 1 234.387 3.749 20 30 BHEDMO C[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411158361 191162638 /nfs/dbraw/zinc/16/26/38/191162638.db2.gz SKNFGYCHRCYUFK-AWEZNQCLSA-N 1 1 234.387 3.725 20 30 BHEDMO C[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411158364 191163374 /nfs/dbraw/zinc/16/33/74/191163374.db2.gz SKNFGYCHRCYUFK-CQSZACIVSA-N 1 1 234.387 3.725 20 30 BHEDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411162926 191164668 /nfs/dbraw/zinc/16/46/68/191164668.db2.gz YRQQZVRZXCLICO-AWEZNQCLSA-N 1 1 244.382 3.934 20 30 BHEDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000411162927 191163997 /nfs/dbraw/zinc/16/39/97/191163997.db2.gz YRQQZVRZXCLICO-CQSZACIVSA-N 1 1 244.382 3.934 20 30 BHEDMO C=CC[NH+](CC=C)[C@H](C)c1ccccc1F ZINC000411163756 191166524 /nfs/dbraw/zinc/16/65/24/191166524.db2.gz KRMCRKRKFPEIJP-GFCCVEGCSA-N 1 1 219.303 3.561 20 30 BHEDMO C=CC[NH+](CC=C)[C@@H](C)c1ccccc1F ZINC000411163757 191165985 /nfs/dbraw/zinc/16/59/85/191165985.db2.gz KRMCRKRKFPEIJP-LBPRGKRZSA-N 1 1 219.303 3.561 20 30 BHEDMO CC(C)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411171665 191166816 /nfs/dbraw/zinc/16/68/16/191166816.db2.gz FAVGBMWHWYEUOZ-UHFFFAOYSA-N 1 1 234.387 3.723 20 30 BHEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000411180602 191169717 /nfs/dbraw/zinc/16/97/17/191169717.db2.gz RUZFLCVLOLVSMW-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[N@@H+](CC)CCC1(C#N)CCCCC1 ZINC000411197942 191168796 /nfs/dbraw/zinc/16/87/96/191168796.db2.gz XASIPSTTYDEZQL-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccoc1 ZINC000411198581 191169190 /nfs/dbraw/zinc/16/91/90/191169190.db2.gz ZLYRUQHOMHWVPI-UHFFFAOYSA-N 1 1 246.354 3.576 20 30 BHEDMO CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CCC#N ZINC000411203339 191170508 /nfs/dbraw/zinc/17/05/08/191170508.db2.gz QZODCTYIRXOINR-CYBMUJFWSA-N 1 1 248.345 3.730 20 30 BHEDMO CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)CCC#N ZINC000411203340 191170703 /nfs/dbraw/zinc/17/07/03/191170703.db2.gz QZODCTYIRXOINR-ZDUSSCGKSA-N 1 1 248.345 3.730 20 30 BHEDMO CC[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411212711 191169903 /nfs/dbraw/zinc/16/99/03/191169903.db2.gz AZEOFEXXTFFPQU-AWEZNQCLSA-N 1 1 234.387 3.725 20 30 BHEDMO 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IXYPFGYXCPIQIG-LBPRGKRZSA-N 1 1 248.395 3.751 20 30 BHEDMO N#CCC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000411474336 191187846 /nfs/dbraw/zinc/18/78/46/191187846.db2.gz LJOJDOZXQVCYFO-HNNXBMFYSA-N 1 1 246.329 3.560 20 30 BHEDMO N#CCC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000411474337 191187252 /nfs/dbraw/zinc/18/72/52/191187252.db2.gz LJOJDOZXQVCYFO-OAHLLOKOSA-N 1 1 246.329 3.560 20 30 BHEDMO N#CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000411478517 191188350 /nfs/dbraw/zinc/18/83/50/191188350.db2.gz ULUMQPJFTYTURO-HNNXBMFYSA-N 1 1 246.329 3.560 20 30 BHEDMO N#CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000411478518 191188592 /nfs/dbraw/zinc/18/85/92/191188592.db2.gz ULUMQPJFTYTURO-OAHLLOKOSA-N 1 1 246.329 3.560 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411490722 191188585 /nfs/dbraw/zinc/18/85/85/191188585.db2.gz TYYCCZGKJTWPCR-UHFFFAOYSA-N 1 1 240.350 3.551 20 30 BHEDMO N#CC1(CC[N@H+]2CCCC3(CC3)C2)CCCCC1 ZINC000411556531 191194376 /nfs/dbraw/zinc/19/43/76/191194376.db2.gz XTXPGVONCMTYIR-UHFFFAOYSA-N 1 1 246.398 3.727 20 30 BHEDMO N#CC1(CC[N@H+]2CC[C@H]3CCC[C@@H]32)CCCCC1 ZINC000411565422 191194077 /nfs/dbraw/zinc/19/40/77/191194077.db2.gz FIGOOVMXKVOQLM-CABCVRRESA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(CC[N@H+]2CC[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000411565425 191193938 /nfs/dbraw/zinc/19/39/38/191193938.db2.gz FIGOOVMXKVOQLM-GJZGRUSLSA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(CC[N@H+]2CC[C@H]3CCC[C@H]32)CCCCC1 ZINC000411565428 191194409 /nfs/dbraw/zinc/19/44/09/191194409.db2.gz FIGOOVMXKVOQLM-HUUCEWRRSA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(CC[N@H+]2CC[C@@H]3CCC[C@H]32)CCCCC1 ZINC000411565431 191194770 /nfs/dbraw/zinc/19/47/70/191194770.db2.gz FIGOOVMXKVOQLM-LSDHHAIUSA-N 1 1 246.398 3.725 20 30 BHEDMO C=CCC[N@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411614345 191196256 /nfs/dbraw/zinc/19/62/56/191196256.db2.gz HDGDFYVEGDZVAO-UHFFFAOYSA-N 1 1 240.350 3.551 20 30 BHEDMO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)CCC#N ZINC000411629207 191199658 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BHEDMO CC[N@@H+](Cc1cccc(C2CC2)c1)C[C@@H](C)C#N ZINC000421325070 192318386 /nfs/dbraw/zinc/31/83/86/192318386.db2.gz YRPCUHPMTORJNR-ZDUSSCGKSA-N 1 1 242.366 3.546 20 30 BHEDMO C[N@@H+](Cc1cccc(C2CC2)c1)CC(C)(C)C#N ZINC000421380488 192323711 /nfs/dbraw/zinc/32/37/11/192323711.db2.gz JSBYICANRZHHRS-UHFFFAOYSA-N 1 1 242.366 3.546 20 30 BHEDMO C[N@H+](Cc1cccc(C2CC2)c1)CC(C)(C)C#N ZINC000421380488 192323708 /nfs/dbraw/zinc/32/37/08/192323708.db2.gz JSBYICANRZHHRS-UHFFFAOYSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000421394856 192330057 /nfs/dbraw/zinc/33/00/57/192330057.db2.gz UFLOZIBXQQUQFD-HNNXBMFYSA-N 1 1 248.414 3.828 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000421394857 192329794 /nfs/dbraw/zinc/32/97/94/192329794.db2.gz UFLOZIBXQQUQFD-OAHLLOKOSA-N 1 1 248.414 3.828 20 30 BHEDMO C=CCC[C@H]([NH2+]c1ccc2c(c1)CCN2)C1CC1 ZINC000423209395 387993438 /nfs/dbraw/zinc/99/34/38/387993438.db2.gz FERVOPUWTDAOCS-INIZCTEOSA-N 1 1 242.366 3.811 20 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230.355 3.811 20 30 BHEDMO C=CCC[C@H](CC)[NH2+]c1ccc2c(c1)CCN2 ZINC000423219547 387999081 /nfs/dbraw/zinc/99/90/81/387999081.db2.gz UFCPUGIZPCUGSI-ZDUSSCGKSA-N 1 1 230.355 3.811 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cncn1C(C)C ZINC000425338468 398214697 /nfs/dbraw/zinc/21/46/97/398214697.db2.gz PTBABKBJXZIMSO-UHFFFAOYSA-N 1 1 249.402 3.642 20 30 BHEDMO CC(C)=CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366340 388704146 /nfs/dbraw/zinc/70/41/46/388704146.db2.gz PKEZJGQZZUEQEX-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO CC(C)=CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366342 388704425 /nfs/dbraw/zinc/70/44/25/388704425.db2.gz PKEZJGQZZUEQEX-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO C[C@@H](c1ccccc1)[N@@H+](CCC#N)C1CCCC1 ZINC000425462490 386105048 /nfs/dbraw/zinc/10/50/48/386105048.db2.gz WMHCEJNBIUKHST-AWEZNQCLSA-N 1 1 242.366 3.906 20 30 BHEDMO C[C@H](c1ccccc1)[N@@H+](CCC#N)C1CCCC1 ZINC000425462491 386103814 /nfs/dbraw/zinc/10/38/14/386103814.db2.gz WMHCEJNBIUKHST-CQSZACIVSA-N 1 1 242.366 3.906 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1C=CCCC1 ZINC000425530045 388706758 /nfs/dbraw/zinc/70/67/58/388706758.db2.gz DETYLLHFGJXFMW-BBRMVZONSA-N 1 1 240.350 3.660 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1C=CCCC1 ZINC000425530046 388707036 /nfs/dbraw/zinc/70/70/36/388707036.db2.gz DETYLLHFGJXFMW-CJNGLKHVSA-N 1 1 240.350 3.660 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000425530047 388706961 /nfs/dbraw/zinc/70/69/61/388706961.db2.gz DETYLLHFGJXFMW-CZUORRHYSA-N 1 1 240.350 3.660 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1C=CCCC1 ZINC000425530048 388706494 /nfs/dbraw/zinc/70/64/94/388706494.db2.gz DETYLLHFGJXFMW-XJKSGUPXSA-N 1 1 240.350 3.660 20 30 BHEDMO CCCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533297 388706889 /nfs/dbraw/zinc/70/68/89/388706889.db2.gz KOPCSHIWGIAJST-CYBMUJFWSA-N 1 1 230.355 3.741 20 30 BHEDMO CCCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533300 388706164 /nfs/dbraw/zinc/70/61/64/388706164.db2.gz KOPCSHIWGIAJST-ZDUSSCGKSA-N 1 1 230.355 3.741 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C)CCC1 ZINC000425534870 200809480 /nfs/dbraw/zinc/80/94/80/200809480.db2.gz MIXPNUZATIVPIJ-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C)CCC1 ZINC000425534871 388706215 /nfs/dbraw/zinc/70/62/15/388706215.db2.gz MIXPNUZATIVPIJ-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO CC/C=C\CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535618 388706199 /nfs/dbraw/zinc/70/61/99/388706199.db2.gz NQGUWUMSXMFOHE-GEXIGZQTSA-N 1 1 242.366 3.907 20 30 BHEDMO CC/C=C/CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535621 388706379 /nfs/dbraw/zinc/70/63/79/388706379.db2.gz NQGUWUMSXMFOHE-GJBLVYBDSA-N 1 1 242.366 3.907 20 30 BHEDMO CC/C=C\CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535623 388706594 /nfs/dbraw/zinc/70/65/94/388706594.db2.gz NQGUWUMSXMFOHE-GXMNPTEKSA-N 1 1 242.366 3.907 20 30 BHEDMO CC/C=C/CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535625 388706287 /nfs/dbraw/zinc/70/62/87/388706287.db2.gz NQGUWUMSXMFOHE-VBROQKIQSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536537 386336507 /nfs/dbraw/zinc/33/65/07/386336507.db2.gz OTGYNKFJYFYLJP-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536539 386336389 /nfs/dbraw/zinc/33/63/89/386336389.db2.gz OTGYNKFJYFYLJP-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000425537372 386338470 /nfs/dbraw/zinc/33/84/70/386338470.db2.gz HAAVRBTZGJGZAO-HNNXBMFYSA-N 1 1 242.366 3.763 20 30 BHEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCCC#N)C1 ZINC000425537373 386339618 /nfs/dbraw/zinc/33/96/18/386339618.db2.gz HAAVRBTZGJGZAO-OAHLLOKOSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCF ZINC000425542038 388706562 /nfs/dbraw/zinc/70/65/62/388706562.db2.gz XSACVXRFLXPGBU-CYBMUJFWSA-N 1 1 248.345 3.691 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCF ZINC000425542039 388706431 /nfs/dbraw/zinc/70/64/31/388706431.db2.gz XSACVXRFLXPGBU-ZDUSSCGKSA-N 1 1 248.345 3.691 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425543079 386520673 /nfs/dbraw/zinc/52/06/73/386520673.db2.gz ZASUBQKAPJPPPF-CYBMUJFWSA-N 1 1 228.339 3.517 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543083 386520733 /nfs/dbraw/zinc/52/07/33/386520733.db2.gz ZASUBQKAPJPPPF-ZDUSSCGKSA-N 1 1 228.339 3.517 20 30 BHEDMO C=CC[N@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000426145187 387542180 /nfs/dbraw/zinc/54/21/80/387542180.db2.gz YWQUWLQLEYWNJM-UHFFFAOYSA-N 1 1 227.760 3.552 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426355382 387557853 /nfs/dbraw/zinc/55/78/53/387557853.db2.gz ZTHZLJZPZJPRIR-UHFFFAOYSA-N 1 1 246.379 3.613 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426357160 387558071 /nfs/dbraw/zinc/55/80/71/387558071.db2.gz OTQXTZYWIRDMKQ-CYBMUJFWSA-N 1 1 249.785 3.668 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426357161 387558544 /nfs/dbraw/zinc/55/85/44/387558544.db2.gz OTQXTZYWIRDMKQ-ZDUSSCGKSA-N 1 1 249.785 3.668 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426374621 387562128 /nfs/dbraw/zinc/56/21/28/387562128.db2.gz YDAJENVELYDMHC-UHFFFAOYSA-N 1 1 246.379 3.613 20 30 BHEDMO CCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387384 387562216 /nfs/dbraw/zinc/56/22/16/387562216.db2.gz ABJNRQNUANLHRC-CYBMUJFWSA-N 1 1 249.785 3.812 20 30 BHEDMO CCC[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387385 387563016 /nfs/dbraw/zinc/56/30/16/387563016.db2.gz ABJNRQNUANLHRC-ZDUSSCGKSA-N 1 1 249.785 3.812 20 30 BHEDMO C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426403882 387565117 /nfs/dbraw/zinc/56/51/17/387565117.db2.gz XSVWPVLZUBBELW-CYBMUJFWSA-N 1 1 247.769 3.566 20 30 BHEDMO C[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426403883 200984880 /nfs/dbraw/zinc/98/48/80/200984880.db2.gz XSVWPVLZUBBELW-ZDUSSCGKSA-N 1 1 247.769 3.566 20 30 BHEDMO C=C(C)C[N@@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000426408090 387565887 /nfs/dbraw/zinc/56/58/87/387565887.db2.gz BKHSIKRTJWKODB-UHFFFAOYSA-N 1 1 247.769 3.590 20 30 BHEDMO CC1(C)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426437115 384808438 /nfs/dbraw/zinc/80/84/38/384808438.db2.gz UZAPDCYVWZSWQV-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(C)(C)C ZINC000426468478 387572280 /nfs/dbraw/zinc/57/22/80/387572280.db2.gz MTDNEIIVOLYRBP-UHFFFAOYSA-N 1 1 249.785 3.669 20 30 BHEDMO CC(C)CCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000426482246 388711143 /nfs/dbraw/zinc/71/11/43/388711143.db2.gz DULHWCINGCBMDM-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000426542346 387580786 /nfs/dbraw/zinc/58/07/86/387580786.db2.gz DXMOQVAEXUQWGD-BBWFWOEESA-N 1 1 241.378 3.831 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000426542347 387579955 /nfs/dbraw/zinc/57/99/55/387579955.db2.gz DXMOQVAEXUQWGD-BRWVUGGUSA-N 1 1 241.378 3.831 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000426542348 387580795 /nfs/dbraw/zinc/58/07/95/387580795.db2.gz DXMOQVAEXUQWGD-GVDBMIGSSA-N 1 1 241.378 3.831 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000426542349 387580681 /nfs/dbraw/zinc/58/06/81/387580681.db2.gz DXMOQVAEXUQWGD-ZACQAIPSSA-N 1 1 241.378 3.831 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000426544928 387580513 /nfs/dbraw/zinc/58/05/13/387580513.db2.gz OPMSXMCAAOXYNY-LLVKDONJSA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000426544928 387580510 /nfs/dbraw/zinc/58/05/10/387580510.db2.gz OPMSXMCAAOXYNY-LLVKDONJSA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000426544933 387579934 /nfs/dbraw/zinc/57/99/34/387579934.db2.gz OPMSXMCAAOXYNY-NSHDSACASA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000426544933 387579930 /nfs/dbraw/zinc/57/99/30/387579930.db2.gz OPMSXMCAAOXYNY-NSHDSACASA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000426545604 387581218 /nfs/dbraw/zinc/58/12/18/387581218.db2.gz QGTQDGQHHTYFGB-HNNXBMFYSA-N 1 1 240.350 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000426545605 387580314 /nfs/dbraw/zinc/58/03/14/387580314.db2.gz QGTQDGQHHTYFGB-OAHLLOKOSA-N 1 1 240.350 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1sccc1C ZINC000426557172 206051609 /nfs/dbraw/zinc/05/16/09/206051609.db2.gz QIWTWOHKYBRJIJ-GFCCVEGCSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1sccc1C ZINC000426557173 206051186 /nfs/dbraw/zinc/05/11/86/206051186.db2.gz QIWTWOHKYBRJIJ-LBPRGKRZSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC000426560190 206050291 /nfs/dbraw/zinc/05/02/91/206050291.db2.gz OWHSHJRAJHCOPE-HNNXBMFYSA-N 1 1 245.366 3.544 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC000426560191 206051047 /nfs/dbraw/zinc/05/10/47/206051047.db2.gz OWHSHJRAJHCOPE-OAHLLOKOSA-N 1 1 245.366 3.544 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000426562385 191096778 /nfs/dbraw/zinc/09/67/78/191096778.db2.gz RTUYPVDWLFOTTC-GFCCVEGCSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)s1 ZINC000426562386 191097085 /nfs/dbraw/zinc/09/70/85/191097085.db2.gz RTUYPVDWLFOTTC-LBPRGKRZSA-N 1 1 221.369 3.597 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000426564907 206053267 /nfs/dbraw/zinc/05/32/67/206053267.db2.gz JIUZSFOGDVHHHU-AWEZNQCLSA-N 1 1 240.350 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000426564908 206051843 /nfs/dbraw/zinc/05/18/43/206051843.db2.gz JIUZSFOGDVHHHU-CQSZACIVSA-N 1 1 240.350 3.708 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1 ZINC000426565926 206051649 /nfs/dbraw/zinc/05/16/49/206051649.db2.gz PUOZTAZBNHOEOG-HNNXBMFYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1 ZINC000426565927 206052159 /nfs/dbraw/zinc/05/21/59/206052159.db2.gz PUOZTAZBNHOEOG-OAHLLOKOSA-N 1 1 245.366 3.626 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000426570070 491131645 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230.355 3.538 20 30 BHEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCc2ccccc21 ZINC000433311098 201179503 /nfs/dbraw/zinc/17/95/03/201179503.db2.gz FRTAOKOUWJNOSZ-HNNXBMFYSA-N 1 1 242.366 3.546 20 30 BHEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCCc2ccccc21 ZINC000433311099 201180519 /nfs/dbraw/zinc/18/05/19/201180519.db2.gz FRTAOKOUWJNOSZ-OAHLLOKOSA-N 1 1 242.366 3.546 20 30 BHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316965 201179063 /nfs/dbraw/zinc/17/90/63/201179063.db2.gz BXLHDEKTTKLLMY-CYBMUJFWSA-N 1 1 230.355 3.538 20 30 BHEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316966 201178365 /nfs/dbraw/zinc/17/83/65/201178365.db2.gz BXLHDEKTTKLLMY-ZDUSSCGKSA-N 1 1 230.355 3.538 20 30 BHEDMO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433321570 201181484 /nfs/dbraw/zinc/18/14/84/201181484.db2.gz YFAZFXZNCGSKIB-AWEZNQCLSA-N 1 1 248.345 3.758 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433321573 201182104 /nfs/dbraw/zinc/18/21/04/201182104.db2.gz 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IJOLCEQBDPENNV-INIZCTEOSA-N 1 1 247.357 3.868 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434616630 201230619 /nfs/dbraw/zinc/23/06/19/201230619.db2.gz IJOLCEQBDPENNV-MRXNPFEDSA-N 1 1 247.357 3.868 20 30 BHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCC#N ZINC000434620828 201228341 /nfs/dbraw/zinc/22/83/41/201228341.db2.gz MBQFGTWSVVTPQN-HNNXBMFYSA-N 1 1 248.345 3.758 20 30 BHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCC#N ZINC000434620829 201228142 /nfs/dbraw/zinc/22/81/42/201228142.db2.gz MBQFGTWSVVTPQN-OAHLLOKOSA-N 1 1 248.345 3.758 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434900463 201245234 /nfs/dbraw/zinc/24/52/34/201245234.db2.gz NATQZHGTLUBIQJ-GDBMZVCRSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434900464 201245475 /nfs/dbraw/zinc/24/54/75/201245475.db2.gz NATQZHGTLUBIQJ-GOEBONIOSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434900465 201245176 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201380897 /nfs/dbraw/zinc/38/08/97/201380897.db2.gz UMAVTKSZXVPUNB-HZPDHXFCSA-N 1 1 229.367 3.615 20 30 BHEDMO C=CC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437959803 201380649 /nfs/dbraw/zinc/38/06/49/201380649.db2.gz UMAVTKSZXVPUNB-JKSUJKDBSA-N 1 1 229.367 3.615 20 30 BHEDMO C=CC[N@H+](C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000437978002 201381203 /nfs/dbraw/zinc/38/12/03/201381203.db2.gz LKAISXMTYLFDCT-GFCCVEGCSA-N 1 1 233.330 3.580 20 30 BHEDMO C=CC[N@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000437978003 201380389 /nfs/dbraw/zinc/38/03/89/201380389.db2.gz LKAISXMTYLFDCT-LBPRGKRZSA-N 1 1 233.330 3.580 20 30 BHEDMO C=CC[N@H+](Cc1ccc(Cl)cc1F)C1CC1 ZINC000437980617 201382209 /nfs/dbraw/zinc/38/22/09/201382209.db2.gz RSBHJLJYNULZBS-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1F)C1CC1 ZINC000437980617 201382206 /nfs/dbraw/zinc/38/22/06/201382206.db2.gz RSBHJLJYNULZBS-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)C ZINC000438057189 201384412 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/nfs/dbraw/zinc/39/43/75/201394375.db2.gz WORCFOLFJMQGAN-KGLIPLIRSA-N 1 1 224.392 3.827 20 30 BHEDMO CCCC[C@@H](CC)CC[N@@H+](C)[C@@H](C)CC#N ZINC000438125426 201395367 /nfs/dbraw/zinc/39/53/67/201395367.db2.gz WORCFOLFJMQGAN-UONOGXRCSA-N 1 1 224.392 3.827 20 30 BHEDMO CCCC[C@@H](CC)CC[N@@H+](C)[C@H](C)CC#N ZINC000438125427 201395555 /nfs/dbraw/zinc/39/55/55/201395555.db2.gz WORCFOLFJMQGAN-ZIAGYGMSSA-N 1 1 224.392 3.827 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000438130691 201395652 /nfs/dbraw/zinc/39/56/52/201395652.db2.gz VRIJZMSKGKHRGV-CYBMUJFWSA-N 1 1 235.346 3.827 20 30 BHEDMO C=CCCC[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000438130805 201394632 /nfs/dbraw/zinc/39/46/32/201394632.db2.gz VRIJZMSKGKHRGV-ZDUSSCGKSA-N 1 1 235.346 3.827 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000438132478 201394671 /nfs/dbraw/zinc/39/46/71/201394671.db2.gz ZEXQNWPWXDUANF-UHFFFAOYSA-N 1 1 246.329 3.705 20 30 BHEDMO CC(C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000438343989 387925945 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/nfs/dbraw/zinc/19/17/56/398191756.db2.gz FOMZCOJKYQSJNW-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC(C)(CCC#N)C[N@H+]1CCCC2(CCCC2)C1 ZINC000438375544 411448585 /nfs/dbraw/zinc/44/85/85/411448585.db2.gz NFLHETLUYIVWST-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000438529974 387940974 /nfs/dbraw/zinc/94/09/74/387940974.db2.gz FHQDJHWBFVKKCG-BETUJISGSA-N 1 1 247.769 3.564 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439318609 387994571 /nfs/dbraw/zinc/99/45/71/387994571.db2.gz PKJKZVKRFUYBMZ-GDBMZVCRSA-N 1 1 229.367 3.831 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439318610 387993813 /nfs/dbraw/zinc/99/38/13/387993813.db2.gz PKJKZVKRFUYBMZ-GOEBONIOSA-N 1 1 229.367 3.831 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439318611 206075929 /nfs/dbraw/zinc/07/59/29/206075929.db2.gz PKJKZVKRFUYBMZ-HOCLYGCPSA-N 1 1 229.367 3.831 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439318612 387994133 /nfs/dbraw/zinc/99/41/33/387994133.db2.gz PKJKZVKRFUYBMZ-ZBFHGGJFSA-N 1 1 229.367 3.831 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439320586 387994660 /nfs/dbraw/zinc/99/46/60/387994660.db2.gz ODUUQQXARJXWFL-DOTOQJQBSA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439320587 387993272 /nfs/dbraw/zinc/99/32/72/387993272.db2.gz ODUUQQXARJXWFL-NVXWUHKLSA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439320589 387993571 /nfs/dbraw/zinc/99/35/71/387993571.db2.gz ODUUQQXARJXWFL-RDJZCZTQSA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439320590 206075473 /nfs/dbraw/zinc/07/54/73/206075473.db2.gz ODUUQQXARJXWFL-WBVHZDCISA-N 1 1 241.378 3.668 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439441476 387998940 /nfs/dbraw/zinc/99/89/40/387998940.db2.gz JXUNONQWQQYXOI-UHFFFAOYSA-N 1 1 248.757 3.610 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000439443922 387999003 /nfs/dbraw/zinc/99/90/03/387999003.db2.gz AXADDDSIJRXUAD-UHFFFAOYSA-N 1 1 248.757 3.610 20 30 BHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439444349 387047418 /nfs/dbraw/zinc/04/74/18/387047418.db2.gz UMMYUJZYGFDMLW-UHFFFAOYSA-N 1 1 248.757 3.584 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439449880 387047104 /nfs/dbraw/zinc/04/71/04/387047104.db2.gz WBAWHRBKHMZEDB-UHFFFAOYSA-N 1 1 248.757 3.586 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439455067 201449001 /nfs/dbraw/zinc/44/90/01/201449001.db2.gz TZJWGQAAWBLAHO-PHIMTYICSA-N 1 1 248.757 3.584 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](F)CC ZINC000440513982 388048550 /nfs/dbraw/zinc/04/85/50/388048550.db2.gz KZPHXLNFFKPIPS-HNNXBMFYSA-N 1 1 235.346 3.813 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](F)CC ZINC000440513984 388049457 /nfs/dbraw/zinc/04/94/57/388049457.db2.gz KZPHXLNFFKPIPS-OAHLLOKOSA-N 1 1 235.346 3.813 20 30 BHEDMO CC[C@H](F)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689385 387505434 /nfs/dbraw/zinc/50/54/34/387505434.db2.gz BJKOHAPRMSPBHU-DOMZBBRYSA-N 1 1 248.345 3.689 20 30 BHEDMO CC[C@@H](F)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000440689386 387505703 /nfs/dbraw/zinc/50/57/03/387505703.db2.gz BJKOHAPRMSPBHU-IUODEOHRSA-N 1 1 248.345 3.689 20 30 BHEDMO CC[C@@H](F)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689388 387505408 /nfs/dbraw/zinc/50/54/08/387505408.db2.gz BJKOHAPRMSPBHU-SWLSCSKDSA-N 1 1 248.345 3.689 20 30 BHEDMO CC[C@H](F)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000440689390 387506110 /nfs/dbraw/zinc/50/61/10/387506110.db2.gz BJKOHAPRMSPBHU-WFASDCNBSA-N 1 1 248.345 3.689 20 30 BHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](F)CC ZINC000440711581 387539358 /nfs/dbraw/zinc/53/93/58/387539358.db2.gz NWCXMSXGVTWVPV-HNNXBMFYSA-N 1 1 248.345 3.518 20 30 BHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](F)CC ZINC000440711584 387539701 /nfs/dbraw/zinc/53/97/01/387539701.db2.gz NWCXMSXGVTWVPV-OAHLLOKOSA-N 1 1 248.345 3.518 20 30 BHEDMO CC[C@H](F)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000440714177 387542660 /nfs/dbraw/zinc/54/26/60/387542660.db2.gz PYFFFXKMYYRCKV-HNNXBMFYSA-N 1 1 248.345 3.517 20 30 BHEDMO CC[C@@H](F)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000440714180 387542507 /nfs/dbraw/zinc/54/25/07/387542507.db2.gz PYFFFXKMYYRCKV-OAHLLOKOSA-N 1 1 248.345 3.517 20 30 BHEDMO CC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441141482 387730552 /nfs/dbraw/zinc/73/05/52/387730552.db2.gz CXROVHLLGAJXLG-AWEZNQCLSA-N 1 1 247.769 3.566 20 30 BHEDMO CC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441141483 387730607 /nfs/dbraw/zinc/73/06/07/387730607.db2.gz CXROVHLLGAJXLG-CQSZACIVSA-N 1 1 247.769 3.566 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCCC1 ZINC000441145262 387730291 /nfs/dbraw/zinc/73/02/91/387730291.db2.gz LMFBFAHCHCJCOV-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO C=CCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC000441146150 387731259 /nfs/dbraw/zinc/73/12/59/387731259.db2.gz MMMAEKMRXMSXCZ-UHFFFAOYSA-N 1 1 247.769 3.590 20 30 BHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)CC(C)C ZINC000441147993 387730446 /nfs/dbraw/zinc/73/04/46/387730446.db2.gz YZCNVCRWOQUXRK-UHFFFAOYSA-N 1 1 249.785 3.669 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC(C)(C)C ZINC000441150489 387732537 /nfs/dbraw/zinc/73/25/37/387732537.db2.gz YVQWPMKJZSHFQY-UHFFFAOYSA-N 1 1 249.785 3.669 20 30 BHEDMO CCC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441151066 387731791 /nfs/dbraw/zinc/73/17/91/387731791.db2.gz TXZFOOJTCJJJTI-CYBMUJFWSA-N 1 1 249.785 3.812 20 30 BHEDMO CCC[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441151067 387732627 /nfs/dbraw/zinc/73/26/27/387732627.db2.gz TXZFOOJTCJJJTI-ZDUSSCGKSA-N 1 1 249.785 3.812 20 30 BHEDMO C[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441152217 387731312 /nfs/dbraw/zinc/73/13/12/387731312.db2.gz WLYVFBJHKILMCM-CYBMUJFWSA-N 1 1 247.769 3.566 20 30 BHEDMO C[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441152217 387731308 /nfs/dbraw/zinc/73/13/08/387731308.db2.gz WLYVFBJHKILMCM-CYBMUJFWSA-N 1 1 247.769 3.566 20 30 BHEDMO C[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441152219 387732419 /nfs/dbraw/zinc/73/24/19/387732419.db2.gz WLYVFBJHKILMCM-ZDUSSCGKSA-N 1 1 247.769 3.566 20 30 BHEDMO C[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441152219 387732412 /nfs/dbraw/zinc/73/24/12/387732412.db2.gz WLYVFBJHKILMCM-ZDUSSCGKSA-N 1 1 247.769 3.566 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441154839 387732108 /nfs/dbraw/zinc/73/21/08/387732108.db2.gz IGKPJUYZIFBZOA-CYBMUJFWSA-N 1 1 249.785 3.668 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441154840 387731939 /nfs/dbraw/zinc/73/19/39/387731939.db2.gz IGKPJUYZIFBZOA-ZDUSSCGKSA-N 1 1 249.785 3.668 20 30 BHEDMO C=C(C)C[N@@H+](CC)CC#Cc1ccccc1Cl ZINC000441157591 387729841 /nfs/dbraw/zinc/72/98/41/387729841.db2.gz PXFOZGSKMKNBIB-UHFFFAOYSA-N 1 1 247.769 3.590 20 30 BHEDMO CC1(C)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441158316 387732059 /nfs/dbraw/zinc/73/20/59/387732059.db2.gz PMYGGFAOPOXJNK-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C1CCC1 ZINC000441159284 387732389 /nfs/dbraw/zinc/73/23/89/387732389.db2.gz YYQBXKIGCJNKFL-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccccc1Cl ZINC000441160486 387729613 /nfs/dbraw/zinc/72/96/13/387729613.db2.gz YEXGTTVPIPFWRU-BETUJISGSA-N 1 1 247.769 3.564 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1F)CC1CCC1 ZINC000441213960 387737151 /nfs/dbraw/zinc/73/71/51/387737151.db2.gz WNFYNQNWKNZVRF-UHFFFAOYSA-N 1 1 233.330 3.614 20 30 BHEDMO CCC(C)(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000441243689 387411944 /nfs/dbraw/zinc/41/19/44/387411944.db2.gz INVANCNWGQWSRJ-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO CCC(C)(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000441244652 387441355 /nfs/dbraw/zinc/44/13/55/387441355.db2.gz KPHGYKNJXULUCM-UHFFFAOYSA-N 1 1 244.382 3.816 20 30 BHEDMO C=CC[N@@H+](CCc1ccccc1)CC1CCC1 ZINC000441263888 387741085 /nfs/dbraw/zinc/74/10/85/387741085.db2.gz KCQYMQKQHNTFMO-UHFFFAOYSA-N 1 1 229.367 3.517 20 30 BHEDMO CC#CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441333384 387747700 /nfs/dbraw/zinc/74/77/00/387747700.db2.gz SJDKAMKVNTUFBT-DLBZAZTESA-N 1 1 241.378 3.586 20 30 BHEDMO CC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441333388 387746436 /nfs/dbraw/zinc/74/64/36/387746436.db2.gz SJDKAMKVNTUFBT-IAGOWNOFSA-N 1 1 241.378 3.586 20 30 BHEDMO CC#CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441333392 387748140 /nfs/dbraw/zinc/74/81/40/387748140.db2.gz SJDKAMKVNTUFBT-IRXDYDNUSA-N 1 1 241.378 3.586 20 30 BHEDMO CC#CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441333399 387747882 /nfs/dbraw/zinc/74/78/82/387747882.db2.gz SJDKAMKVNTUFBT-SJORKVTESA-N 1 1 241.378 3.586 20 30 BHEDMO C=CC[N@H+](CC)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441344920 387747599 /nfs/dbraw/zinc/74/75/99/387747599.db2.gz JHVFBWPDHPQRMH-INIZCTEOSA-N 1 1 231.383 3.824 20 30 BHEDMO C=CC[N@H+](CC)[C@H](CC)Cc1ccc(C)cc1 ZINC000441344921 201546808 /nfs/dbraw/zinc/54/68/08/201546808.db2.gz JHVFBWPDHPQRMH-MRXNPFEDSA-N 1 1 231.383 3.824 20 30 BHEDMO C=CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441346224 387746839 /nfs/dbraw/zinc/74/68/39/387746839.db2.gz NDBUALLEAFXGKJ-CVEARBPZSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441346225 201547899 /nfs/dbraw/zinc/54/78/99/201547899.db2.gz NDBUALLEAFXGKJ-HOTGVXAUSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441346227 387747749 /nfs/dbraw/zinc/74/77/49/387747749.db2.gz NDBUALLEAFXGKJ-HZPDHXFCSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441346229 201548899 /nfs/dbraw/zinc/54/88/99/201548899.db2.gz NDBUALLEAFXGKJ-JKSUJKDBSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441355975 387751142 /nfs/dbraw/zinc/75/11/42/387751142.db2.gz PBQKTKVOAJUCAX-INIZCTEOSA-N 1 1 231.383 3.824 20 30 BHEDMO C=CCC[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441355977 387747584 /nfs/dbraw/zinc/74/75/84/387747584.db2.gz PBQKTKVOAJUCAX-MRXNPFEDSA-N 1 1 231.383 3.824 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441364094 387751704 /nfs/dbraw/zinc/75/17/04/387751704.db2.gz YYDWCWKZAFBIIV-INIZCTEOSA-N 1 1 231.383 3.824 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441364096 387749981 /nfs/dbraw/zinc/74/99/81/387749981.db2.gz YYDWCWKZAFBIIV-MRXNPFEDSA-N 1 1 231.383 3.824 20 30 BHEDMO C=C(C)C[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441370566 387754067 /nfs/dbraw/zinc/75/40/67/387754067.db2.gz QVBIIOMIAUQQRN-UHFFFAOYSA-N 1 1 231.383 3.781 20 30 BHEDMO C=CCC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441373276 387753426 /nfs/dbraw/zinc/75/34/26/387753426.db2.gz DOJYVATXLUOBCQ-UHFFFAOYSA-N 1 1 231.383 3.781 20 30 BHEDMO C=CC[N@H+](CCCSC)CC1CCCCC1 ZINC000441380960 387755127 /nfs/dbraw/zinc/75/51/27/387755127.db2.gz HYWHQETTYAAXCY-UHFFFAOYSA-N 1 1 241.444 3.808 20 30 BHEDMO C=CC[N@@H+](CC1CCC1)CC1CCCCC1 ZINC000441381509 387753071 /nfs/dbraw/zinc/75/30/71/387753071.db2.gz IUMWESXYYAOICD-UHFFFAOYSA-N 1 1 221.388 3.855 20 30 BHEDMO C=CC[N@@H+](CCC1CC1)CC1CCCCC1 ZINC000441392159 387756398 /nfs/dbraw/zinc/75/63/98/387756398.db2.gz IKLWQRCJRLDJOH-UHFFFAOYSA-N 1 1 221.388 3.855 20 30 BHEDMO CCC(C)(C)CC[N@@H+](CC#N)C1CCCC1 ZINC000441394445 387756277 /nfs/dbraw/zinc/75/62/77/387756277.db2.gz KQCRXRQETYBTJE-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC(C)(C)CC[N@H+](CC#N)C1CCCC1 ZINC000441394445 387756275 /nfs/dbraw/zinc/75/62/75/387756275.db2.gz KQCRXRQETYBTJE-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO C=CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441472943 387763424 /nfs/dbraw/zinc/76/34/24/387763424.db2.gz YJTJTKJKPHSZGX-HZSPNIEDSA-N 1 1 207.361 3.606 20 30 BHEDMO C=CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441472946 387762640 /nfs/dbraw/zinc/76/26/40/387762640.db2.gz YJTJTKJKPHSZGX-MCIONIFRSA-N 1 1 207.361 3.606 20 30 BHEDMO C=CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441472949 387761675 /nfs/dbraw/zinc/76/16/75/387761675.db2.gz YJTJTKJKPHSZGX-MGPQQGTHSA-N 1 1 207.361 3.606 20 30 BHEDMO C=CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441472951 387762304 /nfs/dbraw/zinc/76/23/04/387762304.db2.gz YJTJTKJKPHSZGX-RDBSUJKOSA-N 1 1 207.361 3.606 20 30 BHEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680927 388359926 /nfs/dbraw/zinc/35/99/26/388359926.db2.gz OHJBDTCHIWVSGG-BBRMVZONSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680930 388359649 /nfs/dbraw/zinc/35/96/49/388359649.db2.gz OHJBDTCHIWVSGG-CJNGLKHVSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@]1(C)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680933 388360132 /nfs/dbraw/zinc/36/01/32/388360132.db2.gz OHJBDTCHIWVSGG-CZUORRHYSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680937 388359716 /nfs/dbraw/zinc/35/97/16/388359716.db2.gz OHJBDTCHIWVSGG-XJKSGUPXSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000442687415 388361278 /nfs/dbraw/zinc/36/12/78/388361278.db2.gz XYSFRXJZQQNPFA-KBPBESRZSA-N 1 1 244.382 3.987 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000442687417 388361202 /nfs/dbraw/zinc/36/12/02/388361202.db2.gz XYSFRXJZQQNPFA-KGLIPLIRSA-N 1 1 244.382 3.987 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000442687418 388361252 /nfs/dbraw/zinc/36/12/52/388361252.db2.gz XYSFRXJZQQNPFA-UONOGXRCSA-N 1 1 244.382 3.987 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000442687420 388361357 /nfs/dbraw/zinc/36/13/57/388361357.db2.gz XYSFRXJZQQNPFA-ZIAGYGMSSA-N 1 1 244.382 3.987 20 30 BHEDMO CC(C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442690044 388360645 /nfs/dbraw/zinc/36/06/45/388360645.db2.gz VBOBKWKCZLWDKX-BBRMVZONSA-N 1 1 242.366 3.597 20 30 BHEDMO CC(C)[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442690045 388361051 /nfs/dbraw/zinc/36/10/51/388361051.db2.gz VBOBKWKCZLWDKX-CJNGLKHVSA-N 1 1 242.366 3.597 20 30 BHEDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442690046 388360943 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UHFLDSGDNFXLSE-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO CC(C)[N@@H+](CC#Cc1ccccc1)CC1CCC1 ZINC000444763287 387924207 /nfs/dbraw/zinc/92/42/07/387924207.db2.gz CTGUGRNQGGZGIE-UHFFFAOYSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000444772585 387927517 /nfs/dbraw/zinc/92/75/17/387927517.db2.gz WDHRMNMQKCSTLR-AWEZNQCLSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000444772586 387926482 /nfs/dbraw/zinc/92/64/82/387926482.db2.gz WDHRMNMQKCSTLR-CQSZACIVSA-N 1 1 236.403 3.684 20 30 BHEDMO C=CC[C@@H]1[N@@H+](Cc2cnoc2C)CCCC1(C)C ZINC000444773653 387926890 /nfs/dbraw/zinc/92/68/90/387926890.db2.gz FGSICKNRKMQSIK-AWEZNQCLSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@H]1[N@@H+](Cc2cnoc2C)CCCC1(C)C ZINC000444773654 387926446 /nfs/dbraw/zinc/92/64/46/387926446.db2.gz FGSICKNRKMQSIK-CQSZACIVSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@@H]1[N@H+](Cc2ccccn2)CCCC1(C)C ZINC000444776195 387928243 /nfs/dbraw/zinc/92/82/43/387928243.db2.gz 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CCC[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450217242 202099679 /nfs/dbraw/zinc/09/96/79/202099679.db2.gz QSOGPZPRFGNYPN-UHFFFAOYSA-N 1 1 242.366 3.592 20 30 BHEDMO CC[N@@H+](Cc1ccccc1C)CC1(C#N)CCC1 ZINC000450246190 202105996 /nfs/dbraw/zinc/10/59/96/202105996.db2.gz UAFHOTCLVZREPX-UHFFFAOYSA-N 1 1 242.366 3.511 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCCCC1(F)F ZINC000450248992 202110002 /nfs/dbraw/zinc/11/00/02/202110002.db2.gz ZGJAKIWOIRAXGW-GFCCVEGCSA-N 1 1 231.330 3.710 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCCC1(F)F ZINC000450248994 202108692 /nfs/dbraw/zinc/10/86/92/202108692.db2.gz ZGJAKIWOIRAXGW-LBPRGKRZSA-N 1 1 231.330 3.710 20 30 BHEDMO CC(C)[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450257062 202111771 /nfs/dbraw/zinc/11/17/71/202111771.db2.gz JKSIKMHLTSKSJX-UHFFFAOYSA-N 1 1 242.366 3.591 20 30 BHEDMO CCCCC[N@@H+](CC1(C#N)CCC1)C(C)C ZINC000450257858 202112160 /nfs/dbraw/zinc/11/21/60/202112160.db2.gz XXTFIVNBGBFZEO-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO 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/nfs/dbraw/zinc/26/59/60/388265960.db2.gz NJTBNOMVSGUJPL-HZPDHXFCSA-N 1 1 241.378 3.586 20 30 BHEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000462314082 388265453 /nfs/dbraw/zinc/26/54/53/388265453.db2.gz NJTBNOMVSGUJPL-JKSUJKDBSA-N 1 1 241.378 3.586 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000462314234 388265781 /nfs/dbraw/zinc/26/57/81/388265781.db2.gz JCLZSUNJHYQAGV-HNNXBMFYSA-N 1 1 241.378 3.701 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000462314235 388265877 /nfs/dbraw/zinc/26/58/77/388265877.db2.gz JCLZSUNJHYQAGV-OAHLLOKOSA-N 1 1 241.378 3.701 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000462314464 388265932 /nfs/dbraw/zinc/26/59/32/388265932.db2.gz DQOPNJVVEICCFY-AWEZNQCLSA-N 1 1 247.769 3.543 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000462314465 388265314 /nfs/dbraw/zinc/26/53/14/388265314.db2.gz DQOPNJVVEICCFY-CQSZACIVSA-N 1 1 247.769 3.543 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000462315256 388265460 /nfs/dbraw/zinc/26/54/60/388265460.db2.gz MFEDOBLCMSKNSA-DOTOQJQBSA-N 1 1 241.378 3.525 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000462315258 388265189 /nfs/dbraw/zinc/26/51/89/388265189.db2.gz MFEDOBLCMSKNSA-NVXWUHKLSA-N 1 1 241.378 3.525 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000462315260 388265383 /nfs/dbraw/zinc/26/53/83/388265383.db2.gz MFEDOBLCMSKNSA-RDJZCZTQSA-N 1 1 241.378 3.525 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000462315262 388265396 /nfs/dbraw/zinc/26/53/96/388265396.db2.gz MFEDOBLCMSKNSA-WBVHZDCISA-N 1 1 241.378 3.525 20 30 BHEDMO CC#CCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000462315280 388265447 /nfs/dbraw/zinc/26/54/47/388265447.db2.gz MJHQTQVQLCYJEC-UHFFFAOYSA-N 1 1 235.758 3.575 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000462315492 388265433 /nfs/dbraw/zinc/26/54/33/388265433.db2.gz PYGRCNIDKYWOST-INIZCTEOSA-N 1 1 229.367 3.729 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000462315493 388265269 /nfs/dbraw/zinc/26/52/69/388265269.db2.gz PYGRCNIDKYWOST-MRXNPFEDSA-N 1 1 229.367 3.729 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000462315826 388265403 /nfs/dbraw/zinc/26/54/03/388265403.db2.gz RFXSTBBDYJIQQG-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000462315844 388265628 /nfs/dbraw/zinc/26/56/28/388265628.db2.gz RFXSTBBDYJIQQG-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315913 388265572 /nfs/dbraw/zinc/26/55/72/388265572.db2.gz RMCPUSPHOATODE-DZGCQCFKSA-N 1 1 245.366 3.774 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315918 388265322 /nfs/dbraw/zinc/26/53/22/388265322.db2.gz RMCPUSPHOATODE-HIFRSBDPSA-N 1 1 245.366 3.774 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000462315920 388265579 /nfs/dbraw/zinc/26/55/79/388265579.db2.gz RMCPUSPHOATODE-UKRRQHHQSA-N 1 1 245.366 3.774 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000462315921 388265687 /nfs/dbraw/zinc/26/56/87/388265687.db2.gz RMCPUSPHOATODE-ZFWWWQNUSA-N 1 1 245.366 3.774 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000462316604 388265430 /nfs/dbraw/zinc/26/54/30/388265430.db2.gz MALHVMWBFHVNNE-HNNXBMFYSA-N 1 1 229.367 3.710 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000462316606 388265305 /nfs/dbraw/zinc/26/53/05/388265305.db2.gz MALHVMWBFHVNNE-OAHLLOKOSA-N 1 1 229.367 3.710 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000462316713 388265489 /nfs/dbraw/zinc/26/54/89/388265489.db2.gz RTEJUCOKXFNRAZ-HNNXBMFYSA-N 1 1 229.367 3.710 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000462316714 388265380 /nfs/dbraw/zinc/26/53/80/388265380.db2.gz RTEJUCOKXFNRAZ-OAHLLOKOSA-N 1 1 229.367 3.710 20 30 BHEDMO CC#CCC[N@@H+](CC(C)C)C(CC)CC ZINC000462316827 388265938 /nfs/dbraw/zinc/26/59/38/388265938.db2.gz AZTYUTCLFOMKMJ-UHFFFAOYSA-N 1 1 209.377 3.546 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000462317280 384232355 /nfs/dbraw/zinc/23/23/55/384232355.db2.gz QURIVWRQOSKCJC-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000462317281 384231645 /nfs/dbraw/zinc/23/16/45/384231645.db2.gz QURIVWRQOSKCJC-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000462317792 388265809 /nfs/dbraw/zinc/26/58/09/388265809.db2.gz WWQRJFKBEUXRDX-UHFFFAOYSA-N 1 1 229.367 3.701 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000462318090 388265472 /nfs/dbraw/zinc/26/54/72/388265472.db2.gz VODXAMVYXCLOCX-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000462318091 388265666 /nfs/dbraw/zinc/26/56/66/388265666.db2.gz VODXAMVYXCLOCX-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000462318917 388265344 /nfs/dbraw/zinc/26/53/44/388265344.db2.gz ZHOLRQVLBFQLFA-GFCCVEGCSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000462318919 388265425 /nfs/dbraw/zinc/26/54/25/388265425.db2.gz ZHOLRQVLBFQLFA-LBPRGKRZSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000462320083 388265559 /nfs/dbraw/zinc/26/55/59/388265559.db2.gz QJDOGKGBVVUDMN-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000462320084 388265525 /nfs/dbraw/zinc/26/55/25/388265525.db2.gz QJDOGKGBVVUDMN-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000462320860 388265203 /nfs/dbraw/zinc/26/52/03/388265203.db2.gz SQKGHHNOQQBHLR-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000462320861 388266201 /nfs/dbraw/zinc/26/62/01/388266201.db2.gz SQKGHHNOQQBHLR-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000462320890 388266695 /nfs/dbraw/zinc/26/66/95/388266695.db2.gz SWGYDACRKRXUMK-CYBMUJFWSA-N 1 1 233.330 3.622 20 30 BHEDMO CC#CCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000462320891 388266262 /nfs/dbraw/zinc/26/62/62/388266262.db2.gz SWGYDACRKRXUMK-ZDUSSCGKSA-N 1 1 233.330 3.622 20 30 BHEDMO C=CCCCCC[N@H+](C)CCCc1ccncc1 ZINC000462321303 388266237 /nfs/dbraw/zinc/26/62/37/388266237.db2.gz MPABQDBXAJTZBY-UHFFFAOYSA-N 1 1 246.398 3.692 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000462321804 388266448 /nfs/dbraw/zinc/26/64/48/388266448.db2.gz WUEPQHNJJPYUMN-BBRMVZONSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000462321806 388266702 /nfs/dbraw/zinc/26/67/02/388266702.db2.gz WUEPQHNJJPYUMN-CJNGLKHVSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000462321808 388266552 /nfs/dbraw/zinc/26/65/52/388266552.db2.gz WUEPQHNJJPYUMN-CZUORRHYSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000462321809 388266894 /nfs/dbraw/zinc/26/68/94/388266894.db2.gz WUEPQHNJJPYUMN-XJKSGUPXSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000462321830 388266624 /nfs/dbraw/zinc/26/66/24/388266624.db2.gz XBJFUIVMIFWOAE-CYBMUJFWSA-N 1 1 249.785 3.616 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000462322011 388266171 /nfs/dbraw/zinc/26/61/71/388266171.db2.gz XBJFUIVMIFWOAE-ZDUSSCGKSA-N 1 1 249.785 3.616 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000462322368 384247106 /nfs/dbraw/zinc/24/71/06/384247106.db2.gz ZZPOLOQBCQGIDU-HNNXBMFYSA-N 1 1 229.367 3.701 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000462322369 219862850 /nfs/dbraw/zinc/86/28/50/219862850.db2.gz ZZPOLOQBCQGIDU-OAHLLOKOSA-N 1 1 229.367 3.701 20 30 BHEDMO CC#CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000462322854 388266311 /nfs/dbraw/zinc/26/63/11/388266311.db2.gz QZLHVTUNMBSRTP-BBRMVZONSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000462322855 388266603 /nfs/dbraw/zinc/26/66/03/388266603.db2.gz QZLHVTUNMBSRTP-CJNGLKHVSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000462322856 388266149 /nfs/dbraw/zinc/26/61/49/388266149.db2.gz QZLHVTUNMBSRTP-CZUORRHYSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000462322857 388266992 /nfs/dbraw/zinc/26/69/92/388266992.db2.gz QZLHVTUNMBSRTP-XJKSGUPXSA-N 1 1 245.341 3.622 20 30 BHEDMO CC#CCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000462323369 388266597 /nfs/dbraw/zinc/26/65/97/388266597.db2.gz COAQXGPNHSUZMP-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO CC#CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000462323632 388266983 /nfs/dbraw/zinc/26/69/83/388266983.db2.gz DAQDGVSREFDKEO-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO CC#CCC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000462323975 388266966 /nfs/dbraw/zinc/26/69/66/388266966.db2.gz WMYYTSUZICYFKV-HNNXBMFYSA-N 1 1 245.366 3.919 20 30 BHEDMO CC#CCC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000462323977 388266663 /nfs/dbraw/zinc/26/66/63/388266663.db2.gz WMYYTSUZICYFKV-OAHLLOKOSA-N 1 1 245.366 3.919 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000462324437 388266681 /nfs/dbraw/zinc/26/66/81/388266681.db2.gz CHFBAEDHPYIOJV-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000462324438 388266159 /nfs/dbraw/zinc/26/61/59/388266159.db2.gz CHFBAEDHPYIOJV-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000462324684 388266672 /nfs/dbraw/zinc/26/66/72/388266672.db2.gz DCPPVTBBNZOCKV-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000462324686 388266795 /nfs/dbraw/zinc/26/67/95/388266795.db2.gz DCPPVTBBNZOCKV-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000462324972 388266299 /nfs/dbraw/zinc/26/62/99/388266299.db2.gz MAPVLGVMAGQYBE-UHFFFAOYSA-N 1 1 235.396 3.680 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000462326390 388266654 /nfs/dbraw/zinc/26/66/54/388266654.db2.gz KSYQNYQHQZMCLI-GFCCVEGCSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000462326391 388266304 /nfs/dbraw/zinc/26/63/04/388266304.db2.gz KSYQNYQHQZMCLI-LBPRGKRZSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000462327289 388266876 /nfs/dbraw/zinc/26/68/76/388266876.db2.gz NTMRFALKZNBKDJ-INIZCTEOSA-N 1 1 245.341 3.766 20 30 BHEDMO CC#CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000462327290 388266406 /nfs/dbraw/zinc/26/64/06/388266406.db2.gz NTMRFALKZNBKDJ-MRXNPFEDSA-N 1 1 245.341 3.766 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000462328313 388266830 /nfs/dbraw/zinc/26/68/30/388266830.db2.gz SRCQXDWDSNGJGE-KRWDZBQOSA-N 1 1 241.378 3.670 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000462328314 388266918 /nfs/dbraw/zinc/26/69/18/388266918.db2.gz SRCQXDWDSNGJGE-QGZVFWFLSA-N 1 1 241.378 3.670 20 30 BHEDMO CC#CCC[N@H+](CC)Cc1ccccc1Cl ZINC000462329100 388266843 /nfs/dbraw/zinc/26/68/43/388266843.db2.gz VBFWKJFQYAIBJX-UHFFFAOYSA-N 1 1 235.758 3.575 20 30 BHEDMO CC#CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000462329119 388266614 /nfs/dbraw/zinc/26/66/14/388266614.db2.gz VFCGSLMWPVUJGL-GFCCVEGCSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000462329120 388266574 /nfs/dbraw/zinc/26/65/74/388266574.db2.gz VFCGSLMWPVUJGL-LBPRGKRZSA-N 1 1 235.758 3.746 20 30 BHEDMO CC#CCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000462329256 388266780 /nfs/dbraw/zinc/26/67/80/388266780.db2.gz YERQFBDXYXACTI-UHFFFAOYSA-N 1 1 247.769 3.718 20 30 BHEDMO CC#CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000462329370 388266428 /nfs/dbraw/zinc/26/64/28/388266428.db2.gz WQQVPRWBOPHYGW-UHFFFAOYSA-N 1 1 243.375 3.747 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000462334676 388266760 /nfs/dbraw/zinc/26/67/60/388266760.db2.gz VCEDKHHPBGSZKR-GZKZCVOOSA-N 1 1 239.362 3.578 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000462334678 388266836 /nfs/dbraw/zinc/26/68/36/388266836.db2.gz VCEDKHHPBGSZKR-MUSGIIIZSA-N 1 1 239.362 3.578 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000462334680 384283834 /nfs/dbraw/zinc/28/38/34/384283834.db2.gz VCEDKHHPBGSZKR-QOHRORDFSA-N 1 1 239.362 3.578 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000462334681 384284998 /nfs/dbraw/zinc/28/49/98/384284998.db2.gz VCEDKHHPBGSZKR-UJGDBWEASA-N 1 1 239.362 3.578 20 30 BHEDMO CC#CCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000462337862 388266195 /nfs/dbraw/zinc/26/61/95/388266195.db2.gz QZJJSJIKSMFOJT-CHWSQXEVSA-N 1 1 245.341 3.547 20 30 BHEDMO CC#CCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000462337863 388266857 /nfs/dbraw/zinc/26/68/57/388266857.db2.gz QZJJSJIKSMFOJT-OLZOCXBDSA-N 1 1 245.341 3.547 20 30 BHEDMO CC#CCC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000462337864 388266274 /nfs/dbraw/zinc/26/62/74/388266274.db2.gz QZJJSJIKSMFOJT-QWHCGFSZSA-N 1 1 245.341 3.547 20 30 BHEDMO CC#CCC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000462337865 388266220 /nfs/dbraw/zinc/26/62/20/388266220.db2.gz QZJJSJIKSMFOJT-STQMWFEESA-N 1 1 245.341 3.547 20 30 BHEDMO CC#CCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000462447428 566437208 /nfs/dbraw/zinc/43/72/08/566437208.db2.gz ODKDCXWGHNDRSE-INIZCTEOSA-N 1 1 227.351 3.627 20 30 BHEDMO CC#CCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000462447429 566437192 /nfs/dbraw/zinc/43/71/92/566437192.db2.gz ODKDCXWGHNDRSE-MRXNPFEDSA-N 1 1 227.351 3.627 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000462479901 388268769 /nfs/dbraw/zinc/26/87/69/388268769.db2.gz ZMHXYHLIHVEFLC-INIZCTEOSA-N 1 1 241.378 3.506 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000462479903 388268229 /nfs/dbraw/zinc/26/82/29/388268229.db2.gz ZMHXYHLIHVEFLC-MRXNPFEDSA-N 1 1 241.378 3.506 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC(C)(C)C ZINC000462824890 488042292 /nfs/dbraw/zinc/04/22/92/488042292.db2.gz GZWIDJCKYQZHSI-UHFFFAOYSA-N 1 1 244.382 3.735 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463070752 388276988 /nfs/dbraw/zinc/27/69/88/388276988.db2.gz HCTAIXXZOQZFMD-HOTGVXAUSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463104434 259374801 /nfs/dbraw/zinc/37/48/01/259374801.db2.gz KBHQNEMMNVDCQJ-HOTGVXAUSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463201383 388088838 /nfs/dbraw/zinc/08/88/38/388088838.db2.gz DXMOQVAEXUQWGD-ULQDDVLXSA-N 1 1 241.378 3.831 20 30 BHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC000463357912 388091015 /nfs/dbraw/zinc/09/10/15/388091015.db2.gz BBSTXLSMHDKGKU-UHFFFAOYSA-N 1 1 247.357 3.545 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440358 388091417 /nfs/dbraw/zinc/09/14/17/388091417.db2.gz NQYQFWXQXVFTIA-MNOVXSKESA-N 1 1 235.293 3.615 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451188 526505920 /nfs/dbraw/zinc/50/59/20/526505920.db2.gz FSMGFCQVYDTQRB-MNOVXSKESA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCCC[N@H+](CCC)CCc1cccs1 ZINC000464580972 388101544 /nfs/dbraw/zinc/10/15/44/388101544.db2.gz CUWGYYCHVVLVOF-UHFFFAOYSA-N 1 1 237.412 3.969 20 30 BHEDMO C=C(C)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464724840 388102355 /nfs/dbraw/zinc/10/23/55/388102355.db2.gz KDVTYYVHURKEHT-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464724841 388101872 /nfs/dbraw/zinc/10/18/72/388101872.db2.gz KDVTYYVHURKEHT-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464724842 388102532 /nfs/dbraw/zinc/10/25/32/388102532.db2.gz KDVTYYVHURKEHT-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464724843 388102196 /nfs/dbraw/zinc/10/21/96/388102196.db2.gz KDVTYYVHURKEHT-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464728221 388102486 /nfs/dbraw/zinc/10/24/86/388102486.db2.gz XXSDRQPAKONECG-GOSISDBHSA-N 1 1 249.357 3.972 20 30 BHEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464728222 388101838 /nfs/dbraw/zinc/10/18/38/388101838.db2.gz XXSDRQPAKONECG-SFHVURJKSA-N 1 1 249.357 3.972 20 30 BHEDMO C=CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464763082 388102924 /nfs/dbraw/zinc/10/29/24/388102924.db2.gz ZNMRPEMTDSOGTD-UHFFFAOYSA-N 1 1 207.361 3.609 20 30 BHEDMO C=CC[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464767454 388103473 /nfs/dbraw/zinc/10/34/73/388103473.db2.gz DDYWGZJLEBQAIB-INIZCTEOSA-N 1 1 249.373 3.901 20 30 BHEDMO C=CC[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464767455 388103425 /nfs/dbraw/zinc/10/34/25/388103425.db2.gz DDYWGZJLEBQAIB-MRXNPFEDSA-N 1 1 249.373 3.901 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000464778865 388103589 /nfs/dbraw/zinc/10/35/89/388103589.db2.gz SNBJRGDFJJVHCL-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000464778866 388103508 /nfs/dbraw/zinc/10/35/08/388103508.db2.gz SNBJRGDFJJVHCL-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464786747 526506478 /nfs/dbraw/zinc/50/64/78/526506478.db2.gz QOXKETAVDNHAPC-INIZCTEOSA-N 1 1 249.373 3.901 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464786748 388103220 /nfs/dbraw/zinc/10/32/20/388103220.db2.gz QOXKETAVDNHAPC-MRXNPFEDSA-N 1 1 249.373 3.901 20 30 BHEDMO C=CC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464787043 388104008 /nfs/dbraw/zinc/10/40/08/388104008.db2.gz WHWDBRHWTYIUAZ-HNNXBMFYSA-N 1 1 235.346 3.511 20 30 BHEDMO C=CC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464787044 388102965 /nfs/dbraw/zinc/10/29/65/388102965.db2.gz WHWDBRHWTYIUAZ-OAHLLOKOSA-N 1 1 235.346 3.511 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464792948 388104102 /nfs/dbraw/zinc/10/41/02/388104102.db2.gz QLKFSSZVALVSNO-INIZCTEOSA-N 1 1 249.373 3.901 20 30 BHEDMO C=CCC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464792949 388105039 /nfs/dbraw/zinc/10/50/39/388105039.db2.gz QLKFSSZVALVSNO-MRXNPFEDSA-N 1 1 249.373 3.901 20 30 BHEDMO CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464820850 388104626 /nfs/dbraw/zinc/10/46/26/388104626.db2.gz GMRBPHHYFZCQBY-CVEARBPZSA-N 1 1 242.366 3.558 20 30 BHEDMO CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464820851 388104955 /nfs/dbraw/zinc/10/49/55/388104955.db2.gz GMRBPHHYFZCQBY-HOTGVXAUSA-N 1 1 242.366 3.558 20 30 BHEDMO CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464820852 388105191 /nfs/dbraw/zinc/10/51/91/388105191.db2.gz GMRBPHHYFZCQBY-HZPDHXFCSA-N 1 1 242.366 3.558 20 30 BHEDMO CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464820853 388104165 /nfs/dbraw/zinc/10/41/65/388104165.db2.gz GMRBPHHYFZCQBY-JKSUJKDBSA-N 1 1 242.366 3.558 20 30 BHEDMO C=CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827117 388105150 /nfs/dbraw/zinc/10/51/50/388105150.db2.gz BEFQEZXLCQATEF-GXTWGEPZSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827118 388105157 /nfs/dbraw/zinc/10/51/57/388105157.db2.gz BEFQEZXLCQATEF-JSGCOSHPSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000464827119 388104261 /nfs/dbraw/zinc/10/42/61/388104261.db2.gz BEFQEZXLCQATEF-OCCSQVGLSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000464827120 388104149 /nfs/dbraw/zinc/10/41/49/388104149.db2.gz BEFQEZXLCQATEF-TZMCWYRMSA-N 1 1 233.355 3.801 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831440 388106296 /nfs/dbraw/zinc/10/62/96/388106296.db2.gz AZPKMFDQGCULER-GXTWGEPZSA-N 1 1 233.355 3.937 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831441 388106382 /nfs/dbraw/zinc/10/63/82/388106382.db2.gz AZPKMFDQGCULER-JSGCOSHPSA-N 1 1 233.355 3.937 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464831442 388105543 /nfs/dbraw/zinc/10/55/43/388105543.db2.gz AZPKMFDQGCULER-OCCSQVGLSA-N 1 1 233.355 3.937 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464831443 388106399 /nfs/dbraw/zinc/10/63/99/388106399.db2.gz AZPKMFDQGCULER-TZMCWYRMSA-N 1 1 233.355 3.937 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000464844011 388106320 /nfs/dbraw/zinc/10/63/20/388106320.db2.gz BZWPZWQJKVIESL-AWEZNQCLSA-N 1 1 209.377 3.855 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000464844012 388105911 /nfs/dbraw/zinc/10/59/11/388105911.db2.gz BZWPZWQJKVIESL-CQSZACIVSA-N 1 1 209.377 3.855 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464851394 388105474 /nfs/dbraw/zinc/10/54/74/388105474.db2.gz GMXFFSYGXSVYGO-CHWSQXEVSA-N 1 1 219.328 3.629 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464851395 388105453 /nfs/dbraw/zinc/10/54/53/388105453.db2.gz GMXFFSYGXSVYGO-OLZOCXBDSA-N 1 1 219.328 3.629 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464851396 388106210 /nfs/dbraw/zinc/10/62/10/388106210.db2.gz GMXFFSYGXSVYGO-QWHCGFSZSA-N 1 1 219.328 3.629 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464851397 388106364 /nfs/dbraw/zinc/10/63/64/388106364.db2.gz GMXFFSYGXSVYGO-STQMWFEESA-N 1 1 219.328 3.629 20 30 BHEDMO CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)C#N ZINC000464866290 388107626 /nfs/dbraw/zinc/10/76/26/388107626.db2.gz CLRVWHWJBROTKQ-ILXRZTDVSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C[C@H](C)C#N ZINC000464866291 388107220 /nfs/dbraw/zinc/10/72/20/388107220.db2.gz CLRVWHWJBROTKQ-KFWWJZLASA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C[C@@H](C)C#N ZINC000464866292 388107247 /nfs/dbraw/zinc/10/72/47/388107247.db2.gz CLRVWHWJBROTKQ-KKUMJFAQSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C[C@H](C)C#N ZINC000464866293 388107294 /nfs/dbraw/zinc/10/72/94/388107294.db2.gz CLRVWHWJBROTKQ-ZNMIVQPWSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000466656428 388120533 /nfs/dbraw/zinc/12/05/33/388120533.db2.gz AXHUNPPLNYLPIQ-BETUJISGSA-N 1 1 247.769 3.564 20 30 BHEDMO C=CC[N@@H+](CC/C=C/CC)CCc1ccco1 ZINC000467177554 527592969 /nfs/dbraw/zinc/59/29/69/527592969.db2.gz VYYOWOSDOKKODB-AATRIKPKSA-N 1 1 233.355 3.666 20 30 BHEDMO C=CC[N@@H+](CC/C=C\CC)CCc1ccco1 ZINC000467177555 527593106 /nfs/dbraw/zinc/59/31/06/527593106.db2.gz 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203.329 3.564 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000467288816 527323915 /nfs/dbraw/zinc/32/39/15/527323915.db2.gz KBSUYYGRUWWSSW-ZDUSSCGKSA-N 1 1 203.329 3.564 20 30 BHEDMO C=CCC[N@@H+](C)CCCSCc1ccccc1 ZINC000467289157 527321170 /nfs/dbraw/zinc/32/11/70/527321170.db2.gz MAFGZHNLDVLOCT-UHFFFAOYSA-N 1 1 249.423 3.818 20 30 BHEDMO C=CCC[N@H+](C)Cc1cc2ccccc2s1 ZINC000467292474 527320201 /nfs/dbraw/zinc/32/02/01/527320201.db2.gz BILHJBWQDVVAES-UHFFFAOYSA-N 1 1 231.364 3.909 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000467293506 527324986 /nfs/dbraw/zinc/32/49/86/527324986.db2.gz LARFBOHEFQFZCO-AWEZNQCLSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CCC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000467293507 527324093 /nfs/dbraw/zinc/32/40/93/527324093.db2.gz LARFBOHEFQFZCO-CQSZACIVSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(Cl)cc1C ZINC000467295198 527321087 /nfs/dbraw/zinc/32/10/87/527321087.db2.gz KGRWQNSOHQWKLS-UHFFFAOYSA-N 1 1 223.747 3.656 20 30 BHEDMO C=CCC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000467296884 527319763 /nfs/dbraw/zinc/31/97/63/527319763.db2.gz BPDJWIUQIHDBCJ-UHFFFAOYSA-N 1 1 239.362 3.890 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000467298954 527324283 /nfs/dbraw/zinc/32/42/83/527324283.db2.gz QNTWQUPZINCBGV-AWEZNQCLSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000467298955 527324568 /nfs/dbraw/zinc/32/45/68/527324568.db2.gz QNTWQUPZINCBGV-CQSZACIVSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000467366716 527320085 /nfs/dbraw/zinc/32/00/85/527320085.db2.gz AVBMTXSGZSHBJI-UHFFFAOYSA-N 1 1 241.334 3.955 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000467369431 527320161 /nfs/dbraw/zinc/32/01/61/527320161.db2.gz KVACWVGHTLATRZ-UHFFFAOYSA-N 1 1 223.747 3.656 20 30 BHEDMO C=CCC[N@H+](C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000467369947 527319608 /nfs/dbraw/zinc/31/96/08/527319608.db2.gz NGQLIPKPEKOQKZ-UHFFFAOYSA-N 1 1 242.366 3.793 20 30 BHEDMO C=CCC[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000467371032 527318308 /nfs/dbraw/zinc/31/83/08/527318308.db2.gz SHKCGHXXTBIURV-AATRIKPKSA-N 1 1 235.758 3.861 20 30 BHEDMO C=CCC[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000467371033 527318948 /nfs/dbraw/zinc/31/89/48/527318948.db2.gz SHKCGHXXTBIURV-WAYWQWQTSA-N 1 1 235.758 3.861 20 30 BHEDMO C=CCC[N@H+](C)C[C@H](CC)c1ccccc1 ZINC000467373493 527320240 /nfs/dbraw/zinc/32/02/40/527320240.db2.gz MVQJZMMSGHAZPY-AWEZNQCLSA-N 1 1 217.356 3.688 20 30 BHEDMO C=CCC[N@H+](C)C[C@@H](CC)c1ccccc1 ZINC000467373494 527319789 /nfs/dbraw/zinc/31/97/89/527319789.db2.gz MVQJZMMSGHAZPY-CQSZACIVSA-N 1 1 217.356 3.688 20 30 BHEDMO C=CCC[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000467374210 527320773 /nfs/dbraw/zinc/32/07/73/527320773.db2.gz VCIPWWMBDJQBLZ-UHFFFAOYSA-N 1 1 217.356 3.620 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000467382215 527321209 /nfs/dbraw/zinc/32/12/09/527321209.db2.gz OIFVGZARPWCAHG-UHFFFAOYSA-N 1 1 247.382 3.729 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000467383554 527324434 /nfs/dbraw/zinc/32/44/34/527324434.db2.gz FHJHAIYURSOOKU-CYBMUJFWSA-N 1 1 235.346 3.655 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000467383555 527324654 /nfs/dbraw/zinc/32/46/54/527324654.db2.gz FHJHAIYURSOOKU-ZDUSSCGKSA-N 1 1 235.346 3.655 20 30 BHEDMO C=CCC[N@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000467384389 527322595 /nfs/dbraw/zinc/32/25/95/527322595.db2.gz WEYZACBBXGTXSA-UHFFFAOYSA-N 1 1 247.382 3.729 20 30 BHEDMO C=CCC[N@@H+](C)CCCCCOc1ccccc1 ZINC000467388368 527319981 /nfs/dbraw/zinc/31/99/81/527319981.db2.gz KVRJENCNXZTHAO-UHFFFAOYSA-N 1 1 247.382 3.744 20 30 BHEDMO C=CCC[N@H+](C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000467389507 527321575 /nfs/dbraw/zinc/32/15/75/527321575.db2.gz QPTMKTBLBYHSQY-UHFFFAOYSA-N 1 1 242.366 3.793 20 30 BHEDMO C=CCC[N@H+](C)Cc1cccn1CCC(C)C ZINC000467389601 527322438 /nfs/dbraw/zinc/32/24/38/527322438.db2.gz RDHWPLQPNCFTDU-UHFFFAOYSA-N 1 1 234.387 3.542 20 30 BHEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000468138304 529528062 /nfs/dbraw/zinc/52/80/62/529528062.db2.gz MHZJAXJMRPTYLV-BBRMVZONSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000468138305 529527907 /nfs/dbraw/zinc/52/79/07/529527907.db2.gz MHZJAXJMRPTYLV-CJNGLKHVSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@]1(C)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000468138306 529401135 /nfs/dbraw/zinc/40/11/35/529401135.db2.gz MHZJAXJMRPTYLV-CZUORRHYSA-N 1 1 242.366 3.741 20 30 BHEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000468138307 529401109 /nfs/dbraw/zinc/40/11/09/529401109.db2.gz MHZJAXJMRPTYLV-XJKSGUPXSA-N 1 1 242.366 3.741 20 30 BHEDMO C=CC[N@H+](Cc1ccc(Cl)cc1C)C1CC1 ZINC000468482740 526334477 /nfs/dbraw/zinc/33/44/77/526334477.db2.gz GCKJICZBMOYUJN-UHFFFAOYSA-N 1 1 235.758 3.799 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)cc1C ZINC000468519925 526501514 /nfs/dbraw/zinc/50/15/14/526501514.db2.gz XQKIUBQBJKIDFW-UHFFFAOYSA-N 1 1 223.747 3.656 20 30 BHEDMO C=CC[N@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000469072103 527593264 /nfs/dbraw/zinc/59/32/64/527593264.db2.gz SNPLQEIATHEMQQ-HNNXBMFYSA-N 1 1 217.356 3.516 20 30 BHEDMO C=CC[N@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000469072181 527592707 /nfs/dbraw/zinc/59/27/07/527592707.db2.gz SNPLQEIATHEMQQ-OAHLLOKOSA-N 1 1 217.356 3.516 20 30 BHEDMO CC1(C)CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000469976449 528913825 /nfs/dbraw/zinc/91/38/25/528913825.db2.gz XTJHOIDYHTZQMF-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469993315 526854605 /nfs/dbraw/zinc/85/46/05/526854605.db2.gz SWDDZZPAGGULES-JTQLQIEISA-N 1 1 235.293 3.615 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469993316 526852718 /nfs/dbraw/zinc/85/27/18/526852718.db2.gz SWDDZZPAGGULES-SNVBAGLBSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470009146 527199629 /nfs/dbraw/zinc/19/96/29/527199629.db2.gz MMKDHUNVTVHRHG-JTQLQIEISA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470009147 527198243 /nfs/dbraw/zinc/19/82/43/527198243.db2.gz MMKDHUNVTVHRHG-SNVBAGLBSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000470715892 526748638 /nfs/dbraw/zinc/74/86/38/526748638.db2.gz JQGSKOVFAATLHV-HNNXBMFYSA-N 1 1 247.382 3.581 20 30 BHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000470715898 526747545 /nfs/dbraw/zinc/74/75/45/526747545.db2.gz JQGSKOVFAATLHV-OAHLLOKOSA-N 1 1 247.382 3.581 20 30 BHEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000470720502 526747480 /nfs/dbraw/zinc/74/74/80/526747480.db2.gz VQWDCILJHCLMKG-HNNXBMFYSA-N 1 1 247.382 3.581 20 30 BHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000470720503 526747469 /nfs/dbraw/zinc/74/74/69/526747469.db2.gz VQWDCILJHCLMKG-OAHLLOKOSA-N 1 1 247.382 3.581 20 30 BHEDMO C=CCOCCC[N@H+](C(C)C)C1CCCCC1 ZINC000470759581 526745870 /nfs/dbraw/zinc/74/58/70/526745870.db2.gz HKMGJUASDIHEDA-UHFFFAOYSA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1CCCCC ZINC000470774403 526753758 /nfs/dbraw/zinc/75/37/58/526753758.db2.gz TVFCJPRODLUPTR-HNNXBMFYSA-N 1 1 239.403 3.624 20 30 BHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1CCCCC ZINC000470774404 526754465 /nfs/dbraw/zinc/75/44/65/526754465.db2.gz TVFCJPRODLUPTR-OAHLLOKOSA-N 1 1 239.403 3.624 20 30 BHEDMO C=C(C)C[N@H+](CCCSC)Cc1ccccc1 ZINC000470914653 526551086 /nfs/dbraw/zinc/55/10/86/526551086.db2.gz COUYHAQLOKPKIN-UHFFFAOYSA-N 1 1 249.423 3.818 20 30 BHEDMO CC#CCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000470995327 526309749 /nfs/dbraw/zinc/30/97/49/526309749.db2.gz HUMXQNYXINYILO-INIZCTEOSA-N 1 1 241.378 3.506 20 30 BHEDMO CC#CCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000470995329 526309952 /nfs/dbraw/zinc/30/99/52/526309952.db2.gz HUMXQNYXINYILO-MRXNPFEDSA-N 1 1 241.378 3.506 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1ccccc1SC ZINC000471008261 526850755 /nfs/dbraw/zinc/85/07/55/526850755.db2.gz PPPQEEHOWDKXDZ-UHFFFAOYSA-N 1 1 235.396 3.807 20 30 BHEDMO CCC(C)(C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000471018343 528537938 /nfs/dbraw/zinc/53/79/38/528537938.db2.gz NEMYLZIWZUUQDA-UHFFFAOYSA-N 1 1 249.785 3.812 20 30 BHEDMO CCC(C)(C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000471021098 528537628 /nfs/dbraw/zinc/53/76/28/528537628.db2.gz IIMDMCUSNKILQI-UHFFFAOYSA-N 1 1 249.785 3.812 20 30 BHEDMO CCC(C)(C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000471079774 528538932 /nfs/dbraw/zinc/53/89/32/528538932.db2.gz DIUYQNSZZLSSDO-UHFFFAOYSA-N 1 1 249.785 3.812 20 30 BHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000472231444 526721791 /nfs/dbraw/zinc/72/17/91/526721791.db2.gz GCQKUMLAWXTDHR-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000472231445 526654438 /nfs/dbraw/zinc/65/44/38/526654438.db2.gz GCQKUMLAWXTDHR-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO C=CC[N@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000472232069 526488239 /nfs/dbraw/zinc/48/82/39/526488239.db2.gz RSVIGLRSMSXFLF-GDBMZVCRSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000472232070 526488751 /nfs/dbraw/zinc/48/87/51/526488751.db2.gz RSVIGLRSMSXFLF-GOEBONIOSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000472232071 526518002 /nfs/dbraw/zinc/51/80/02/526518002.db2.gz RSVIGLRSMSXFLF-HOCLYGCPSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000472232072 526518453 /nfs/dbraw/zinc/51/84/53/526518453.db2.gz RSVIGLRSMSXFLF-ZBFHGGJFSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C(C)C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237861 526607845 /nfs/dbraw/zinc/60/78/45/526607845.db2.gz HYHWCMMDGDJKSF-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237879 526608443 /nfs/dbraw/zinc/60/84/43/526608443.db2.gz HYHWCMMDGDJKSF-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472237880 526608495 /nfs/dbraw/zinc/60/84/95/526608495.db2.gz HYHWCMMDGDJKSF-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000472237881 526607709 /nfs/dbraw/zinc/60/77/09/526607709.db2.gz HYHWCMMDGDJKSF-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472317263 527197140 /nfs/dbraw/zinc/19/71/40/527197140.db2.gz JMNHEVFUHFZPDB-HNNXBMFYSA-N 1 1 232.371 3.518 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472317281 527197278 /nfs/dbraw/zinc/19/72/78/527197278.db2.gz JMNHEVFUHFZPDB-OAHLLOKOSA-N 1 1 232.371 3.518 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472326195 526608072 /nfs/dbraw/zinc/60/80/72/526608072.db2.gz ZWSVPRWDSZCOPT-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326199 526607296 /nfs/dbraw/zinc/60/72/96/526607296.db2.gz ZWSVPRWDSZCOPT-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472326405 526607560 /nfs/dbraw/zinc/60/75/60/526607560.db2.gz ZWSVPRWDSZCOPT-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472326407 526608490 /nfs/dbraw/zinc/60/84/90/526608490.db2.gz ZWSVPRWDSZCOPT-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472328901 526607341 /nfs/dbraw/zinc/60/73/41/526607341.db2.gz QQXSBNABVDOFNZ-GDBMZVCRSA-N 1 1 229.367 3.516 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472328902 526608766 /nfs/dbraw/zinc/60/87/66/526608766.db2.gz QQXSBNABVDOFNZ-GOEBONIOSA-N 1 1 229.367 3.516 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472328903 526607875 /nfs/dbraw/zinc/60/78/75/526607875.db2.gz QQXSBNABVDOFNZ-HOCLYGCPSA-N 1 1 229.367 3.516 20 30 BHEDMO C=C(C)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472328904 526607986 /nfs/dbraw/zinc/60/79/86/526607986.db2.gz QQXSBNABVDOFNZ-ZBFHGGJFSA-N 1 1 229.367 3.516 20 30 BHEDMO C=CC[N@H+](Cc1cccc(SCC)c1)C1CC1 ZINC000473128172 526346908 /nfs/dbraw/zinc/34/69/08/526346908.db2.gz NKYLDXJQLBDLRK-UHFFFAOYSA-N 1 1 247.407 3.949 20 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CC(C)[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000474156156 528438170 /nfs/dbraw/zinc/43/81/70/528438170.db2.gz FKKQOYXYQXCBPZ-GOEBONIOSA-N 1 1 244.382 3.518 20 30 BHEDMO CC(C)[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000474156157 528989208 /nfs/dbraw/zinc/98/92/08/528989208.db2.gz FKKQOYXYQXCBPZ-HOCLYGCPSA-N 1 1 244.382 3.518 20 30 BHEDMO CC(C)[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000474156158 528990094 /nfs/dbraw/zinc/99/00/94/528990094.db2.gz FKKQOYXYQXCBPZ-ZBFHGGJFSA-N 1 1 244.382 3.518 20 30 BHEDMO C=CCOc1ccc(C[N@H+](CC)C(C)(C)C)cc1 ZINC000474158692 526863124 /nfs/dbraw/zinc/86/31/24/526863124.db2.gz GHFUZEHGMIZAMT-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474160235 526336739 /nfs/dbraw/zinc/33/67/39/526336739.db2.gz URHLRVPSRISMGM-UHFFFAOYSA-N 1 1 221.319 3.612 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234794 526456840 /nfs/dbraw/zinc/45/68/40/526456840.db2.gz SPWXPWWEIDWZSN-HNNXBMFYSA-N 1 1 215.340 3.626 20 30 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C=CC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475731054 527577920 /nfs/dbraw/zinc/57/79/20/527577920.db2.gz MIPQSGIIMSRJCG-NEPJUHHUSA-N 1 1 237.774 3.950 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475731058 527577530 /nfs/dbraw/zinc/57/75/30/527577530.db2.gz MIPQSGIIMSRJCG-NWDGAFQWSA-N 1 1 237.774 3.950 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475731060 527577316 /nfs/dbraw/zinc/57/73/16/527577316.db2.gz MIPQSGIIMSRJCG-RYUDHWBXSA-N 1 1 237.774 3.950 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475731062 527578394 /nfs/dbraw/zinc/57/83/94/527578394.db2.gz MIPQSGIIMSRJCG-VXGBXAGGSA-N 1 1 237.774 3.950 20 30 BHEDMO N#CC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC000477670073 225161700 /nfs/dbraw/zinc/16/17/00/225161700.db2.gz BCELBUNEKMVQIO-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO C=CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000477721022 527573049 /nfs/dbraw/zinc/57/30/49/527573049.db2.gz GOFCAJFVGSNHKZ-UHFFFAOYSA-N 1 1 235.330 3.874 20 30 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C=CC[N@H+](CCc1ccccc1)CCC1CC1 ZINC000480767373 526312247 /nfs/dbraw/zinc/31/22/47/526312247.db2.gz HCCDCYVIQQAOFH-UHFFFAOYSA-N 1 1 229.367 3.517 20 30 BHEDMO C=CC[N@@H+](CCCCc1ccccc1)C1CC1 ZINC000480880817 526272350 /nfs/dbraw/zinc/27/23/50/526272350.db2.gz NEPRUDXANOXWDX-UHFFFAOYSA-N 1 1 229.367 3.660 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000480896276 526362012 /nfs/dbraw/zinc/36/20/12/526362012.db2.gz JLMBDLFADUXNSA-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO CC#CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000480896276 526362002 /nfs/dbraw/zinc/36/20/02/526362002.db2.gz JLMBDLFADUXNSA-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000480896296 526362762 /nfs/dbraw/zinc/36/27/62/526362762.db2.gz JLMBDLFADUXNSA-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO CC#CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000480896296 526362755 /nfs/dbraw/zinc/36/27/55/526362755.db2.gz JLMBDLFADUXNSA-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](C)CC ZINC000481116719 528749525 /nfs/dbraw/zinc/74/95/25/528749525.db2.gz WPDHNARSXMQDCG-CYBMUJFWSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](C)CC ZINC000481116756 528750250 /nfs/dbraw/zinc/75/02/50/528750250.db2.gz WPDHNARSXMQDCG-ZDUSSCGKSA-N 1 1 224.392 3.684 20 30 BHEDMO C=C(C)C[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000481231233 526502785 /nfs/dbraw/zinc/50/27/85/526502785.db2.gz QWKWRUYTLSLESA-UHFFFAOYSA-N 1 1 237.774 3.781 20 30 BHEDMO C=C(C)C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000481273935 526502812 /nfs/dbraw/zinc/50/28/12/526502812.db2.gz ZJIBDURGZFPFJA-UHFFFAOYSA-N 1 1 241.737 3.530 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000481278151 526506373 /nfs/dbraw/zinc/50/63/73/526506373.db2.gz BQBDTIUQBKRZHZ-HNNXBMFYSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000481278152 526506797 /nfs/dbraw/zinc/50/67/97/526506797.db2.gz BQBDTIUQBKRZHZ-OAHLLOKOSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000481289140 526507426 /nfs/dbraw/zinc/50/74/26/526507426.db2.gz UFFHDEBKZXUHGJ-AWEZNQCLSA-N 1 1 235.758 3.835 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000481289148 526507418 /nfs/dbraw/zinc/50/74/18/526507418.db2.gz UFFHDEBKZXUHGJ-CQSZACIVSA-N 1 1 235.758 3.835 20 30 BHEDMO C=C(C)C[N@@H+](C)CCCSCc1ccccc1 ZINC000481289708 526502235 /nfs/dbraw/zinc/50/22/35/526502235.db2.gz VIIQMSYICRTEPO-UHFFFAOYSA-N 1 1 249.423 3.818 20 30 BHEDMO C=CC[N@H+](CCCc1cccc(C)c1)C1CC1 ZINC000481292079 526275741 /nfs/dbraw/zinc/27/57/41/526275741.db2.gz YHYQSJYUWXZPCC-UHFFFAOYSA-N 1 1 229.367 3.578 20 30 BHEDMO C=C(C)C[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000481292092 526501452 /nfs/dbraw/zinc/50/14/52/526501452.db2.gz YIKXVFIJMMHQDF-UHFFFAOYSA-N 1 1 239.362 3.890 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000481302163 526506732 /nfs/dbraw/zinc/50/67/32/526506732.db2.gz UAPISYNAPMLKAC-AWEZNQCLSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000481302164 526507177 /nfs/dbraw/zinc/50/71/77/526507177.db2.gz UAPISYNAPMLKAC-CQSZACIVSA-N 1 1 239.309 3.924 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481394209 526456678 /nfs/dbraw/zinc/45/66/78/526456678.db2.gz UNHGCWXIJMJTIH-CYBMUJFWSA-N 1 1 233.330 3.581 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481394210 526456671 /nfs/dbraw/zinc/45/66/71/526456671.db2.gz UNHGCWXIJMJTIH-ZDUSSCGKSA-N 1 1 233.330 3.581 20 30 BHEDMO CCCc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000481893409 528633228 /nfs/dbraw/zinc/63/32/28/528633228.db2.gz MBAWQDQNFOIBBY-AWEZNQCLSA-N 1 1 244.382 3.621 20 30 BHEDMO CCCc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000481893409 528633225 /nfs/dbraw/zinc/63/32/25/528633225.db2.gz MBAWQDQNFOIBBY-AWEZNQCLSA-N 1 1 244.382 3.621 20 30 BHEDMO CCCc1cccc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000481893412 528632778 /nfs/dbraw/zinc/63/27/78/528632778.db2.gz MBAWQDQNFOIBBY-CQSZACIVSA-N 1 1 244.382 3.621 20 30 BHEDMO CCCc1cccc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000481893412 528632775 /nfs/dbraw/zinc/63/27/75/528632775.db2.gz MBAWQDQNFOIBBY-CQSZACIVSA-N 1 1 244.382 3.621 20 30 BHEDMO CC[N@@H+](CCC#N)CC[C@@H](C)CCC=C(C)C ZINC000482071968 528375059 /nfs/dbraw/zinc/37/50/59/528375059.db2.gz SRHZTQNBAALBEP-HNNXBMFYSA-N 1 1 236.403 3.995 20 30 BHEDMO CC[N@@H+](CCC#N)CC[C@H](C)CCC=C(C)C ZINC000482071981 528375925 /nfs/dbraw/zinc/37/59/25/528375925.db2.gz SRHZTQNBAALBEP-OAHLLOKOSA-N 1 1 236.403 3.995 20 30 BHEDMO CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@@H](C)C#N ZINC000482078677 527410034 /nfs/dbraw/zinc/41/00/34/527410034.db2.gz SSSWNBXEQGWVNG-CABCVRRESA-N 1 1 236.403 3.850 20 30 BHEDMO CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@@H](C)C#N ZINC000482078678 527417831 /nfs/dbraw/zinc/41/78/31/527417831.db2.gz SSSWNBXEQGWVNG-GJZGRUSLSA-N 1 1 236.403 3.850 20 30 BHEDMO CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@H](C)C#N ZINC000482078680 527409875 /nfs/dbraw/zinc/40/98/75/527409875.db2.gz SSSWNBXEQGWVNG-HUUCEWRRSA-N 1 1 236.403 3.850 20 30 BHEDMO CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@H](C)C#N ZINC000482078681 527418148 /nfs/dbraw/zinc/41/81/48/527418148.db2.gz SSSWNBXEQGWVNG-LSDHHAIUSA-N 1 1 236.403 3.850 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000482150990 526502563 /nfs/dbraw/zinc/50/25/63/526502563.db2.gz RQNVEPVBKHFFOW-UHFFFAOYSA-N 1 1 242.366 3.793 20 30 BHEDMO CC(C)=CCC[C@@H](C)CC[N@@H+](C)[C@@H](C)CC#N ZINC000482161712 527410250 /nfs/dbraw/zinc/41/02/50/527410250.db2.gz FKOVORBLUULLRV-CABCVRRESA-N 1 1 236.403 3.993 20 30 BHEDMO CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@@H](C)CC#N ZINC000482161714 527418000 /nfs/dbraw/zinc/41/80/00/527418000.db2.gz FKOVORBLUULLRV-GJZGRUSLSA-N 1 1 236.403 3.993 20 30 BHEDMO CC(C)=CCC[C@@H](C)CC[N@@H+](C)[C@H](C)CC#N ZINC000482161715 527409714 /nfs/dbraw/zinc/40/97/14/527409714.db2.gz FKOVORBLUULLRV-HUUCEWRRSA-N 1 1 236.403 3.993 20 30 BHEDMO CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@H](C)CC#N ZINC000482161716 527418442 /nfs/dbraw/zinc/41/84/42/527418442.db2.gz FKOVORBLUULLRV-LSDHHAIUSA-N 1 1 236.403 3.993 20 30 BHEDMO C=CC[N@H+](C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000482528934 526331228 /nfs/dbraw/zinc/33/12/28/526331228.db2.gz NHMFXAFKDABIMX-AWEZNQCLSA-N 1 1 229.367 3.516 20 30 BHEDMO C=CC[N@H+](C[C@H](C)Cc1ccccc1)C1CC1 ZINC000482528936 526331254 /nfs/dbraw/zinc/33/12/54/526331254.db2.gz NHMFXAFKDABIMX-CQSZACIVSA-N 1 1 229.367 3.516 20 30 BHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(F)cc1C#N ZINC000482857800 529319422 /nfs/dbraw/zinc/31/94/22/529319422.db2.gz NRYILKBGFIXPLQ-GFCCVEGCSA-N 1 1 248.345 3.565 20 30 BHEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(F)cc1C#N ZINC000482857812 529658458 /nfs/dbraw/zinc/65/84/58/529658458.db2.gz NRYILKBGFIXPLQ-LBPRGKRZSA-N 1 1 248.345 3.565 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482898638 526606622 /nfs/dbraw/zinc/60/66/22/526606622.db2.gz JGFALFUADXGEIV-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482898641 526606608 /nfs/dbraw/zinc/60/66/08/526606608.db2.gz JGFALFUADXGEIV-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482915490 526456952 /nfs/dbraw/zinc/45/69/52/526456952.db2.gz ATLOLWDIYQQWRO-AWEZNQCLSA-N 1 1 219.303 3.539 20 30 BHEDMO C=CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482915491 526454135 /nfs/dbraw/zinc/45/41/35/526454135.db2.gz ATLOLWDIYQQWRO-CQSZACIVSA-N 1 1 219.303 3.539 20 30 BHEDMO C=CCCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000482942509 527194598 /nfs/dbraw/zinc/19/45/98/527194598.db2.gz DMTPQFBUWWKOPU-HNNXBMFYSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000482942510 527194513 /nfs/dbraw/zinc/19/45/13/527194513.db2.gz DMTPQFBUWWKOPU-OAHLLOKOSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@](C)(OC)CC1 ZINC000482985670 527249422 /nfs/dbraw/zinc/24/94/22/527249422.db2.gz YBCDGJZGDMDDJC-CABCVRRESA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](C)(OC)CC1 ZINC000482985671 527274599 /nfs/dbraw/zinc/27/45/99/527274599.db2.gz YBCDGJZGDMDDJC-GJZGRUSLSA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000482985672 527248789 /nfs/dbraw/zinc/24/87/89/527248789.db2.gz YBCDGJZGDMDDJC-HUUCEWRRSA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000482985675 527273687 /nfs/dbraw/zinc/27/36/87/527273687.db2.gz YBCDGJZGDMDDJC-LSDHHAIUSA-N 1 1 239.403 3.622 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000483010216 527133018 /nfs/dbraw/zinc/13/30/18/527133018.db2.gz FUEDGJHQDFRPJV-HNNXBMFYSA-N 1 1 239.403 3.624 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000483010217 527132568 /nfs/dbraw/zinc/13/25/68/527132568.db2.gz FUEDGJHQDFRPJV-OAHLLOKOSA-N 1 1 239.403 3.624 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000483073197 527200633 /nfs/dbraw/zinc/20/06/33/527200633.db2.gz TXODNJXPBHIZNU-DZGCQCFKSA-N 1 1 215.340 3.646 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483073198 527201196 /nfs/dbraw/zinc/20/11/96/527201196.db2.gz TXODNJXPBHIZNU-HIFRSBDPSA-N 1 1 215.340 3.646 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483073199 527201164 /nfs/dbraw/zinc/20/11/64/527201164.db2.gz TXODNJXPBHIZNU-UKRRQHHQSA-N 1 1 215.340 3.646 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000483073200 527201231 /nfs/dbraw/zinc/20/12/31/527201231.db2.gz TXODNJXPBHIZNU-ZFWWWQNUSA-N 1 1 215.340 3.646 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC(C)(C)C1 ZINC000483100031 529880729 /nfs/dbraw/zinc/88/07/29/529880729.db2.gz GBSMYZYKNCUXBO-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC(C)(C)C1 ZINC000483100040 529880810 /nfs/dbraw/zinc/88/08/10/529880810.db2.gz GBSMYZYKNCUXBO-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000483104541 529822814 /nfs/dbraw/zinc/82/28/14/529822814.db2.gz VFEQTERKLWFQFX-INIZCTEOSA-N 1 1 241.378 3.549 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000483104542 529823413 /nfs/dbraw/zinc/82/34/13/529823413.db2.gz VFEQTERKLWFQFX-MRXNPFEDSA-N 1 1 241.378 3.549 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483104605 527198314 /nfs/dbraw/zinc/19/83/14/527198314.db2.gz IIBCXJBZPWVSDS-AWEZNQCLSA-N 1 1 233.330 3.581 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483104606 527199720 /nfs/dbraw/zinc/19/97/20/527199720.db2.gz IIBCXJBZPWVSDS-CQSZACIVSA-N 1 1 233.330 3.581 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccsc1Cl ZINC000483147966 526547553 /nfs/dbraw/zinc/54/75/53/526547553.db2.gz KSXMBLZAXMWJSD-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO C=C(C)C[N@@H+](CC)Cc1ccsc1Cl ZINC000483147966 526547546 /nfs/dbraw/zinc/54/75/46/526547546.db2.gz KSXMBLZAXMWJSD-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO N#CC[N@@H+](CCCC1CCCC1)C1CCCC1 ZINC000483246772 225237988 /nfs/dbraw/zinc/23/79/88/225237988.db2.gz VGIUCYRNUFKEMI-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CC[N@H+](CCCC1CCCC1)C1CCCC1 ZINC000483246772 225237986 /nfs/dbraw/zinc/23/79/86/225237986.db2.gz VGIUCYRNUFKEMI-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccsc1Cl ZINC000483260233 527191736 /nfs/dbraw/zinc/19/17/36/527191736.db2.gz ORRKYQNALOUIFA-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO CC(C)(C#N)CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000483264776 527462965 /nfs/dbraw/zinc/46/29/65/527462965.db2.gz XMCUDAQGRMXULF-UHFFFAOYSA-N 1 1 248.414 3.828 20 30 BHEDMO CC(C)(C#N)CCCC[N@@H+](CC1CC1)C1CCC1 ZINC000483308225 527461116 /nfs/dbraw/zinc/46/11/16/527461116.db2.gz YTKXTTDBSNBFLQ-UHFFFAOYSA-N 1 1 248.414 3.971 20 30 BHEDMO CC1=C(C)C[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000483336220 528090977 /nfs/dbraw/zinc/09/09/77/528090977.db2.gz FINOXJUFJZVDEH-UHFFFAOYSA-N 1 1 234.387 3.749 20 30 BHEDMO CC1=C(C)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351279 528090348 /nfs/dbraw/zinc/09/03/48/528090348.db2.gz PNSPNSNQHZDZEU-AWEZNQCLSA-N 1 1 240.350 3.661 20 30 BHEDMO CC1=C(C)C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000483351290 528091139 /nfs/dbraw/zinc/09/11/39/528091139.db2.gz PNSPNSNQHZDZEU-CQSZACIVSA-N 1 1 240.350 3.661 20 30 BHEDMO CC1=C(C)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000483378461 528089780 /nfs/dbraw/zinc/08/97/80/528089780.db2.gz NVFVKHLFFYIAAR-AWEZNQCLSA-N 1 1 240.350 3.661 20 30 BHEDMO CC1=C(C)C[N@@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000483378462 528089735 /nfs/dbraw/zinc/08/97/35/528089735.db2.gz NVFVKHLFFYIAAR-CQSZACIVSA-N 1 1 240.350 3.661 20 30 BHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483511774 534101490 /nfs/dbraw/zinc/10/14/90/534101490.db2.gz GCTHSWAKDBLVDM-INIZCTEOSA-N 1 1 249.357 3.731 20 30 BHEDMO C[C@H](c1ccccc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483511775 225243763 /nfs/dbraw/zinc/24/37/63/225243763.db2.gz GCTHSWAKDBLVDM-MRXNPFEDSA-N 1 1 249.357 3.731 20 30 BHEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483516344 527878699 /nfs/dbraw/zinc/87/86/99/527878699.db2.gz GJHVZTZUSOAOKT-UHFFFAOYSA-N 1 1 249.357 3.560 20 30 BHEDMO CC(C)CC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000483519031 538875143 /nfs/dbraw/zinc/87/51/43/538875143.db2.gz OLPQUBXZYFUKTB-UHFFFAOYSA-N 1 1 241.378 3.549 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1)CC1CCCCC1 ZINC000483519189 529823400 /nfs/dbraw/zinc/82/34/00/529823400.db2.gz ZPEDEXJELNIPGP-UHFFFAOYSA-N 1 1 241.378 3.550 20 30 BHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000483519322 225244406 /nfs/dbraw/zinc/24/44/06/225244406.db2.gz LYTGFSSBWHSMIY-DOTOQJQBSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000483519323 533761370 /nfs/dbraw/zinc/76/13/70/533761370.db2.gz LYTGFSSBWHSMIY-NVXWUHKLSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000483519324 225244105 /nfs/dbraw/zinc/24/41/05/225244105.db2.gz LYTGFSSBWHSMIY-RDJZCZTQSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000483519325 225243880 /nfs/dbraw/zinc/24/38/80/225243880.db2.gz LYTGFSSBWHSMIY-WBVHZDCISA-N 1 1 241.378 3.549 20 30 BHEDMO CC[N@@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000483519401 527879035 /nfs/dbraw/zinc/87/90/35/527879035.db2.gz PRCBWVUIYTVSCF-UHFFFAOYSA-N 1 1 241.378 3.693 20 30 BHEDMO C[N@@H+](CC#Cc1ccccc1)C1CCCCCC1 ZINC000483519494 529823123 /nfs/dbraw/zinc/82/31/23/529823123.db2.gz NKADZOGELNPPAE-UHFFFAOYSA-N 1 1 241.378 3.693 20 30 BHEDMO CC1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC000483523820 528191821 /nfs/dbraw/zinc/19/18/21/528191821.db2.gz LFDNOUCKRNPFBT-UHFFFAOYSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483587824 528380475 /nfs/dbraw/zinc/38/04/75/528380475.db2.gz GLGDKMNUXMMNHT-KRWDZBQOSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483587825 528591271 /nfs/dbraw/zinc/59/12/71/528591271.db2.gz GLGDKMNUXMMNHT-QGZVFWFLSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483604558 526653764 /nfs/dbraw/zinc/65/37/64/526653764.db2.gz VLMOHGLFHJVODZ-INIZCTEOSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483604560 526721591 /nfs/dbraw/zinc/72/15/91/526721591.db2.gz VLMOHGLFHJVODZ-MRXNPFEDSA-N 1 1 241.378 3.549 20 30 BHEDMO CCC1(CC)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483929315 529057044 /nfs/dbraw/zinc/05/70/44/529057044.db2.gz UQUYREGELOKGBB-UHFFFAOYSA-N 1 1 241.378 3.550 20 30 BHEDMO CC(C)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000483931434 528649563 /nfs/dbraw/zinc/64/95/63/528649563.db2.gz SOXZDILTJOQORR-KRWDZBQOSA-N 1 1 241.378 3.549 20 30 BHEDMO CC(C)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000483931435 527759827 /nfs/dbraw/zinc/75/98/27/527759827.db2.gz SOXZDILTJOQORR-QGZVFWFLSA-N 1 1 241.378 3.549 20 30 BHEDMO C=CCCCCC[N@H+](C)CC#Cc1ccccc1 ZINC000483962979 527127130 /nfs/dbraw/zinc/12/71/30/527127130.db2.gz WZKASXQZPQCOAD-UHFFFAOYSA-N 1 1 241.378 3.716 20 30 BHEDMO CC[C@@]1(C)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483986390 529523203 /nfs/dbraw/zinc/52/32/03/529523203.db2.gz RWRVVBSFCDGLCF-KRWDZBQOSA-N 1 1 241.378 3.550 20 30 BHEDMO CC[C@]1(C)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483986392 529395690 /nfs/dbraw/zinc/39/56/90/529395690.db2.gz RWRVVBSFCDGLCF-QGZVFWFLSA-N 1 1 241.378 3.550 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC000484005401 225248269 /nfs/dbraw/zinc/24/82/69/225248269.db2.gz BQTFHBCUPFXJGE-DOTOQJQBSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC000484005402 533608165 /nfs/dbraw/zinc/60/81/65/533608165.db2.gz BQTFHBCUPFXJGE-NVXWUHKLSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC000484005403 225247419 /nfs/dbraw/zinc/24/74/19/225247419.db2.gz BQTFHBCUPFXJGE-RDJZCZTQSA-N 1 1 241.378 3.549 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC000484005404 225248279 /nfs/dbraw/zinc/24/82/79/225248279.db2.gz BQTFHBCUPFXJGE-WBVHZDCISA-N 1 1 241.378 3.549 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000484007655 526854082 /nfs/dbraw/zinc/85/40/82/526854082.db2.gz NLPKRXKQEFZVGZ-UHFFFAOYSA-N 1 1 235.758 3.664 20 30 BHEDMO C=CCCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000484021931 527199538 /nfs/dbraw/zinc/19/95/38/527199538.db2.gz WIXRGGVCJKYNFH-UHFFFAOYSA-N 1 1 235.758 3.664 20 30 BHEDMO CC(C)[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000484083922 528857096 /nfs/dbraw/zinc/85/70/96/528857096.db2.gz PIPYKIKLKHXKAR-UHFFFAOYSA-N 1 1 241.378 3.691 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484345211 526853523 /nfs/dbraw/zinc/85/35/23/526853523.db2.gz WDGVXXCUWWSFCA-LLVKDONJSA-N 1 1 249.320 3.863 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484345212 526854141 /nfs/dbraw/zinc/85/41/41/526854141.db2.gz WDGVXXCUWWSFCA-NSHDSACASA-N 1 1 249.320 3.863 20 30 BHEDMO C=CC[N@H+](CC(C)C)CC1CCCCC1 ZINC000484518830 527585962 /nfs/dbraw/zinc/58/59/62/527585962.db2.gz XFRQCYAHGPAQIY-UHFFFAOYSA-N 1 1 209.377 3.711 20 30 BHEDMO CC(C)CC[N@@H+](CCC#N)CCC1CCCC1 ZINC000484901931 527716325 /nfs/dbraw/zinc/71/63/25/527716325.db2.gz VPNWQLSUTQIWKG-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)[C@H]1C=CCCC1 ZINC000484926439 528751888 /nfs/dbraw/zinc/75/18/88/528751888.db2.gz OCMJSZNAHXHTGZ-HNNXBMFYSA-N 1 1 234.387 3.747 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)[C@@H]1C=CCCC1 ZINC000484926440 528751694 /nfs/dbraw/zinc/75/16/94/528751694.db2.gz OCMJSZNAHXHTGZ-OAHLLOKOSA-N 1 1 234.387 3.747 20 30 BHEDMO C=CCCC[N@H+](C)CCCc1cccc(F)c1 ZINC000485555507 527192912 /nfs/dbraw/zinc/19/29/12/527192912.db2.gz XIGTXHYICKCAIL-UHFFFAOYSA-N 1 1 235.346 3.656 20 30 BHEDMO C=CC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702442 526332712 /nfs/dbraw/zinc/33/27/12/526332712.db2.gz BEURHYZUOODVTA-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485730166 527192436 /nfs/dbraw/zinc/19/24/36/527192436.db2.gz ZSXVSPLWAWDOLZ-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCc1cccc(F)c1 ZINC000485788762 526547025 /nfs/dbraw/zinc/54/70/25/526547025.db2.gz GDRRWHGRPYCDMC-UHFFFAOYSA-N 1 1 235.346 3.656 20 30 BHEDMO C=C[C@@H]1CCCCN1c1cc[nH+]c2ccsc21 ZINC000486469606 527458547 /nfs/dbraw/zinc/45/85/47/527458547.db2.gz UXYKXRROLKPLEN-LLVKDONJSA-N 1 1 244.363 3.841 20 30 BHEDMO C=C[C@H]1CCCCN1c1cc[nH+]c2ccsc21 ZINC000486469607 527605821 /nfs/dbraw/zinc/60/58/21/527605821.db2.gz UXYKXRROLKPLEN-NSHDSACASA-N 1 1 244.363 3.841 20 30 BHEDMO C=CCCCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000486672645 527127703 /nfs/dbraw/zinc/12/77/03/527127703.db2.gz MAIYDYXGWODUCV-UHFFFAOYSA-N 1 1 221.388 3.853 20 30 BHEDMO Cc1cc(C[N@H+](CC(C)C)C(C)C)ccc1C#N ZINC000486690032 225268110 /nfs/dbraw/zinc/26/81/10/225268110.db2.gz RJTBAHZXILGBSK-UHFFFAOYSA-N 1 1 244.382 3.733 20 30 BHEDMO CCCC[N@@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000486702592 528441585 /nfs/dbraw/zinc/44/15/85/528441585.db2.gz CJBFUSZOPXEZAZ-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO C=CCCCCC[N@H+]1CCc2sccc2C1 ZINC000486737637 527134613 /nfs/dbraw/zinc/13/46/13/527134613.db2.gz NVQWDKOWLVBEEZ-UHFFFAOYSA-N 1 1 235.396 3.853 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(C)C ZINC000486740603 528769694 /nfs/dbraw/zinc/76/96/94/528769694.db2.gz HYRQEFOTZSZFOW-AWEZNQCLSA-N 1 1 244.382 3.733 20 30 BHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(C)C ZINC000486740604 528770493 /nfs/dbraw/zinc/77/04/93/528770493.db2.gz HYRQEFOTZSZFOW-CQSZACIVSA-N 1 1 244.382 3.733 20 30 BHEDMO C=CCCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000486800849 527133725 /nfs/dbraw/zinc/13/37/25/527133725.db2.gz KMGPPDIONQPPTG-AWEZNQCLSA-N 1 1 232.371 3.611 20 30 BHEDMO C=CCCCCC[N@H+]1CCn2cccc2[C@H]1C ZINC000486800852 527133977 /nfs/dbraw/zinc/13/39/77/527133977.db2.gz KMGPPDIONQPPTG-CQSZACIVSA-N 1 1 232.371 3.611 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000486809486 527131580 /nfs/dbraw/zinc/13/15/80/527131580.db2.gz NUORYXFQJXFJRD-AWEZNQCLSA-N 1 1 248.370 3.866 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000486809488 527131958 /nfs/dbraw/zinc/13/19/58/527131958.db2.gz NUORYXFQJXFJRD-CQSZACIVSA-N 1 1 248.370 3.866 20 30 BHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000486814556 529202368 /nfs/dbraw/zinc/20/23/68/529202368.db2.gz JCCWCOAOLAFVDU-INIZCTEOSA-N 1 1 242.366 3.631 20 30 BHEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000486814557 529274398 /nfs/dbraw/zinc/27/43/98/529274398.db2.gz JCCWCOAOLAFVDU-MRXNPFEDSA-N 1 1 242.366 3.631 20 30 BHEDMO Cc1cc(C[N@H+](C)C2CCCCC2)ccc1C#N ZINC000486815922 534168034 /nfs/dbraw/zinc/16/80/34/534168034.db2.gz AMNNZWLUYIPXCS-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO C=CC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000486978499 527592129 /nfs/dbraw/zinc/59/21/29/527592129.db2.gz UAYQZUNQANEKTE-AWEZNQCLSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000486978500 527592889 /nfs/dbraw/zinc/59/28/89/527592889.db2.gz UAYQZUNQANEKTE-CQSZACIVSA-N 1 1 203.329 3.646 20 30 BHEDMO CCC[N@@H+](CC)Cc1ccccc1C(C)(C)C#N ZINC000487364293 528004237 /nfs/dbraw/zinc/00/42/37/528004237.db2.gz HKYKHHSULQVCTO-UHFFFAOYSA-N 1 1 244.382 3.720 20 30 BHEDMO CC(C)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487372581 385266965 /nfs/dbraw/zinc/26/69/65/385266965.db2.gz UOGPKGFYWSJEDV-UHFFFAOYSA-N 1 1 244.382 3.576 20 30 BHEDMO C=CCCCCC[N@H+](C)C1CCC(OC)CC1 ZINC000487869373 527127418 /nfs/dbraw/zinc/12/74/18/527127418.db2.gz GWXLEVTVZNCNDR-UHFFFAOYSA-N 1 1 239.403 3.622 20 30 BHEDMO Cc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC000487869384 225328418 /nfs/dbraw/zinc/32/84/18/225328418.db2.gz GXYWBYKHMSBUQG-OKILXGFUSA-N 1 1 242.366 3.630 20 30 BHEDMO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C)ccc1C#N ZINC000487908810 533598766 /nfs/dbraw/zinc/59/87/66/533598766.db2.gz JYVMRMFYTQFJBQ-AWEZNQCLSA-N 1 1 242.366 3.631 20 30 BHEDMO Cc1cc(C[N@@H+]2CCCCC[C@H]2C)ccc1C#N ZINC000487908812 533598371 /nfs/dbraw/zinc/59/83/71/533598371.db2.gz JYVMRMFYTQFJBQ-CQSZACIVSA-N 1 1 242.366 3.631 20 30 BHEDMO C=CCCCCC[N@H+](CCC)CC(F)F ZINC000487926448 527130812 /nfs/dbraw/zinc/13/08/12/527130812.db2.gz CYAMQZYWQAFDSC-UHFFFAOYSA-N 1 1 219.319 3.710 20 30 BHEDMO C=CCCCCC[N@@H+](CCC)CC(F)F ZINC000487926448 527130809 /nfs/dbraw/zinc/13/08/09/527130809.db2.gz CYAMQZYWQAFDSC-UHFFFAOYSA-N 1 1 219.319 3.710 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000487987449 526850239 /nfs/dbraw/zinc/85/02/39/526850239.db2.gz KISUYJXPXBSCOK-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C=CCCCCC[N@H+]1CCCC2(CC2)C1 ZINC000488004477 527132885 /nfs/dbraw/zinc/13/28/85/527132885.db2.gz WRIUHOKRNFXSCX-UHFFFAOYSA-N 1 1 207.361 3.609 20 30 BHEDMO C=CC[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000488062388 527574714 /nfs/dbraw/zinc/57/47/14/527574714.db2.gz GQUFZZWYAXMTGY-UHFFFAOYSA-N 1 1 244.165 3.654 20 30 BHEDMO C=CCCCCC[N@H+](CC)Cc1ccncc1 ZINC000488129078 527130750 /nfs/dbraw/zinc/13/07/50/527130750.db2.gz SYDJZNIIZZCHGF-UHFFFAOYSA-N 1 1 232.371 3.650 20 30 BHEDMO C=CCCCCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000488149460 527133149 /nfs/dbraw/zinc/13/31/49/527133149.db2.gz YNPSRQQTQKVYTM-UHFFFAOYSA-N 1 1 247.304 3.927 20 30 BHEDMO C=CCCCCC[N@H+]1CCc2ccsc2C1 ZINC000488149909 527133605 /nfs/dbraw/zinc/13/36/05/527133605.db2.gz MJZDRQDMGBDJHN-UHFFFAOYSA-N 1 1 235.396 3.853 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CSC ZINC000488169046 527132907 /nfs/dbraw/zinc/13/29/07/527132907.db2.gz JAWLBNUVYYCODQ-CYBMUJFWSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CSC ZINC000488169047 527132993 /nfs/dbraw/zinc/13/29/93/527132993.db2.gz JAWLBNUVYYCODQ-ZDUSSCGKSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000488178258 527132077 /nfs/dbraw/zinc/13/20/77/527132077.db2.gz FBGNOTOHBQTREU-HNNXBMFYSA-N 1 1 232.371 3.898 20 30 BHEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000488178259 527132467 /nfs/dbraw/zinc/13/24/67/527132467.db2.gz FBGNOTOHBQTREU-OAHLLOKOSA-N 1 1 232.371 3.898 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cccn1CC ZINC000488190393 527128714 /nfs/dbraw/zinc/12/87/14/527128714.db2.gz CCBZBLSFMWNALL-UHFFFAOYSA-N 1 1 234.387 3.686 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000488201932 527131614 /nfs/dbraw/zinc/13/16/14/527131614.db2.gz NLTQMUUNHPIHAU-INIZCTEOSA-N 1 1 246.398 3.908 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000488201934 527131990 /nfs/dbraw/zinc/13/19/90/527131990.db2.gz NLTQMUUNHPIHAU-MRXNPFEDSA-N 1 1 246.398 3.908 20 30 BHEDMO C=CCCCCC[N@H+]1CCC2(CCC2)C1 ZINC000488204061 527133192 /nfs/dbraw/zinc/13/31/92/527133192.db2.gz QVQIHOBUWVCBNS-UHFFFAOYSA-N 1 1 207.361 3.609 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@H](C)CCSC ZINC000488216847 527130674 /nfs/dbraw/zinc/13/06/74/527130674.db2.gz NCELEGGZVUCJHS-CYBMUJFWSA-N 1 1 229.433 3.806 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@@H](C)CCSC ZINC000488216848 527130596 /nfs/dbraw/zinc/13/05/96/527130596.db2.gz NCELEGGZVUCJHS-ZDUSSCGKSA-N 1 1 229.433 3.806 20 30 BHEDMO C=CCCCCC[N@H+](C(C)C)C1CCC1 ZINC000488241708 527116473 /nfs/dbraw/zinc/11/64/73/527116473.db2.gz FWZSQRLFBCJHTN-UHFFFAOYSA-N 1 1 209.377 3.996 20 30 BHEDMO C=CCCCCC[N@@H+](CC(F)F)C(C)C ZINC000488242975 527131399 /nfs/dbraw/zinc/13/13/99/527131399.db2.gz JZDKUIPNOMFJBZ-UHFFFAOYSA-N 1 1 219.319 3.708 20 30 BHEDMO C=CCCCCC[N@H+](CC(F)F)C(C)C ZINC000488242975 527131395 /nfs/dbraw/zinc/13/13/95/527131395.db2.gz JZDKUIPNOMFJBZ-UHFFFAOYSA-N 1 1 219.319 3.708 20 30 BHEDMO Cc1cc(C[N@H+](C(C)C)C2CCC2)ccc1C#N ZINC000488253652 225358943 /nfs/dbraw/zinc/35/89/43/225358943.db2.gz QAVKCPCSBHEQSO-UHFFFAOYSA-N 1 1 242.366 3.630 20 30 BHEDMO C=CCCCCC[N@H+](C)CCc1ccccc1O ZINC000488293446 527129116 /nfs/dbraw/zinc/12/91/16/527129116.db2.gz GDLWQIARDZTTJQ-UHFFFAOYSA-N 1 1 247.382 3.613 20 30 BHEDMO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000488303749 528685124 /nfs/dbraw/zinc/68/51/24/528685124.db2.gz XFZOWBUZHRDYCQ-IOASZLSFSA-N 1 1 242.366 3.597 20 30 BHEDMO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000488303751 528685395 /nfs/dbraw/zinc/68/53/95/528685395.db2.gz XFZOWBUZHRDYCQ-WWGRRREGSA-N 1 1 242.366 3.597 20 30 BHEDMO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000488303753 528685889 /nfs/dbraw/zinc/68/58/89/528685889.db2.gz XFZOWBUZHRDYCQ-XEZPLFJOSA-N 1 1 242.366 3.597 20 30 BHEDMO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000488303754 528685114 /nfs/dbraw/zinc/68/51/14/528685114.db2.gz XFZOWBUZHRDYCQ-ZENOOKHLSA-N 1 1 242.366 3.597 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488326916 526548216 /nfs/dbraw/zinc/54/82/16/526548216.db2.gz LPMHOQZXGYGFGQ-UHFFFAOYSA-N 1 1 246.329 3.705 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488329367 527191870 /nfs/dbraw/zinc/19/18/70/527191870.db2.gz XZJSSKFJKDMWIH-UHFFFAOYSA-N 1 1 246.329 3.705 20 30 BHEDMO C=CCCCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000488414053 527130045 /nfs/dbraw/zinc/13/00/45/527130045.db2.gz GHMHLSZOXKODCK-UHFFFAOYSA-N 1 1 236.403 3.995 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccccc1C ZINC000488492590 388182272 /nfs/dbraw/zinc/18/22/72/388182272.db2.gz LPUAJQJFKQGLHK-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccccc1C ZINC000488492591 388182000 /nfs/dbraw/zinc/18/20/00/388182000.db2.gz LPUAJQJFKQGLHK-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC000488567473 388187771 /nfs/dbraw/zinc/18/77/71/388187771.db2.gz KKJHVYIIXZFVPK-HNNXBMFYSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC000488567474 388187814 /nfs/dbraw/zinc/18/78/14/388187814.db2.gz KKJHVYIIXZFVPK-OAHLLOKOSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC000488611131 388191159 /nfs/dbraw/zinc/19/11/59/388191159.db2.gz PVPCIFYVQIJZQC-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC000488611132 388190652 /nfs/dbraw/zinc/19/06/52/388190652.db2.gz PVPCIFYVQIJZQC-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488611211 388190658 /nfs/dbraw/zinc/19/06/58/388190658.db2.gz QIJFGKSXQOITET-GFCCVEGCSA-N 1 1 248.326 3.554 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488611213 388190902 /nfs/dbraw/zinc/19/09/02/388190902.db2.gz QIJFGKSXQOITET-LBPRGKRZSA-N 1 1 248.326 3.554 20 30 BHEDMO C=CC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000488739153 362823463 /nfs/dbraw/zinc/82/34/63/362823463.db2.gz KLTSZAXNKWMURL-HNNXBMFYSA-N 1 1 217.356 3.810 20 30 BHEDMO C=CC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488739229 527577779 /nfs/dbraw/zinc/57/77/79/527577779.db2.gz KLTSZAXNKWMURL-OAHLLOKOSA-N 1 1 217.356 3.810 20 30 BHEDMO C=CCCCCC[N@H+]1CCCC12CCC2 ZINC000489006978 388201764 /nfs/dbraw/zinc/20/17/64/388201764.db2.gz FMTFXVUZWFTQGG-UHFFFAOYSA-N 1 1 207.361 3.751 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000489025987 388201788 /nfs/dbraw/zinc/20/17/88/388201788.db2.gz JQQPWZXVDPVDBW-KBPBESRZSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000489025989 388202119 /nfs/dbraw/zinc/20/21/19/388202119.db2.gz JQQPWZXVDPVDBW-KGLIPLIRSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000489025991 388201599 /nfs/dbraw/zinc/20/15/99/388201599.db2.gz JQQPWZXVDPVDBW-UONOGXRCSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000489025992 388201583 /nfs/dbraw/zinc/20/15/83/388201583.db2.gz JQQPWZXVDPVDBW-ZIAGYGMSSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCCCC[N@H+]1CCS[C@H](C)CC1 ZINC000489036014 388202125 /nfs/dbraw/zinc/20/21/25/388202125.db2.gz HYJFLHJMOQSOIW-CYBMUJFWSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCCCC[N@H+]1CCS[C@@H](C)CC1 ZINC000489036455 388202254 /nfs/dbraw/zinc/20/22/54/388202254.db2.gz HYJFLHJMOQSOIW-ZDUSSCGKSA-N 1 1 227.417 3.560 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000489397303 388211126 /nfs/dbraw/zinc/21/11/26/388211126.db2.gz HJDKUPOSIQQYNE-AWEZNQCLSA-N 1 1 241.334 3.973 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000489397305 388210611 /nfs/dbraw/zinc/21/06/11/388210611.db2.gz HJDKUPOSIQQYNE-CQSZACIVSA-N 1 1 241.334 3.973 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CCCCOC(C)(C)C ZINC000489401926 388211015 /nfs/dbraw/zinc/21/10/15/388211015.db2.gz JKQARJINUOKGRO-AWEZNQCLSA-N 1 1 239.403 3.622 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCOC(C)(C)C ZINC000489401928 527457973 /nfs/dbraw/zinc/45/79/73/527457973.db2.gz JKQARJINUOKGRO-CQSZACIVSA-N 1 1 239.403 3.622 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000489407426 388211437 /nfs/dbraw/zinc/21/14/37/388211437.db2.gz UJOIDVWNSGCPNO-GFCCVEGCSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000489407426 388211436 /nfs/dbraw/zinc/21/14/36/388211436.db2.gz UJOIDVWNSGCPNO-GFCCVEGCSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000489407443 388211433 /nfs/dbraw/zinc/21/14/33/388211433.db2.gz UJOIDVWNSGCPNO-LBPRGKRZSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000489407443 388211431 /nfs/dbraw/zinc/21/14/31/388211431.db2.gz UJOIDVWNSGCPNO-LBPRGKRZSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000489407500 388211413 /nfs/dbraw/zinc/21/14/13/388211413.db2.gz PXEPMDZKBZTFET-AWEZNQCLSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000489407500 388211411 /nfs/dbraw/zinc/21/14/11/388211411.db2.gz PXEPMDZKBZTFET-AWEZNQCLSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000489407501 388211367 /nfs/dbraw/zinc/21/13/67/388211367.db2.gz PXEPMDZKBZTFET-CQSZACIVSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000489407501 388211366 /nfs/dbraw/zinc/21/13/66/388211366.db2.gz PXEPMDZKBZTFET-CQSZACIVSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1CCCc1ccsc1 ZINC000489410230 388211572 /nfs/dbraw/zinc/21/15/72/388211572.db2.gz UISYNCLDRVPNBF-AWEZNQCLSA-N 1 1 235.396 3.721 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1CCCc1ccsc1 ZINC000489410239 388211399 /nfs/dbraw/zinc/21/13/99/388211399.db2.gz UISYNCLDRVPNBF-CQSZACIVSA-N 1 1 235.396 3.721 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1F ZINC000489421499 388212644 /nfs/dbraw/zinc/21/26/44/388212644.db2.gz CMAXJWWCUDSIGO-LLVKDONJSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1F ZINC000489421499 388212641 /nfs/dbraw/zinc/21/26/41/388212641.db2.gz CMAXJWWCUDSIGO-LLVKDONJSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1F ZINC000489421500 388212905 /nfs/dbraw/zinc/21/29/05/388212905.db2.gz CMAXJWWCUDSIGO-NSHDSACASA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1F ZINC000489421500 388212902 /nfs/dbraw/zinc/21/29/02/388212902.db2.gz CMAXJWWCUDSIGO-NSHDSACASA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000489428310 388212601 /nfs/dbraw/zinc/21/26/01/388212601.db2.gz DNSYRWGNAVZAEX-HNNXBMFYSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000489428311 388212950 /nfs/dbraw/zinc/21/29/50/388212950.db2.gz DNSYRWGNAVZAEX-OAHLLOKOSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000489434809 388214257 /nfs/dbraw/zinc/21/42/57/388214257.db2.gz IQXXDJQPPBTYRR-JTQLQIEISA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000489434809 388214256 /nfs/dbraw/zinc/21/42/56/388214256.db2.gz IQXXDJQPPBTYRR-JTQLQIEISA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000489434812 388213166 /nfs/dbraw/zinc/21/31/66/388213166.db2.gz IQXXDJQPPBTYRR-SNVBAGLBSA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000489434812 388213164 /nfs/dbraw/zinc/21/31/64/388213164.db2.gz IQXXDJQPPBTYRR-SNVBAGLBSA-N 1 1 241.787 3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1OC ZINC000489436455 527605781 /nfs/dbraw/zinc/60/57/81/527605781.db2.gz NANGNBJHVDNNJM-HNNXBMFYSA-N 1 1 245.366 3.544 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000489436543 388213578 /nfs/dbraw/zinc/21/35/78/388213578.db2.gz NJBNMBFNNRNVIV-AWEZNQCLSA-N 1 1 234.387 3.747 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000489436544 388213796 /nfs/dbraw/zinc/21/37/96/388213796.db2.gz NJBNMBFNNRNVIV-CQSZACIVSA-N 1 1 234.387 3.747 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000489446541 388214862 /nfs/dbraw/zinc/21/48/62/388214862.db2.gz GWRATWVQCHJTNK-HNNXBMFYSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000489446543 388214451 /nfs/dbraw/zinc/21/44/51/388214451.db2.gz GWRATWVQCHJTNK-OAHLLOKOSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000489452690 388215355 /nfs/dbraw/zinc/21/53/55/388215355.db2.gz WTQXQQDCBOQHHJ-LLVKDONJSA-N 1 1 235.293 3.760 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000489452692 388214749 /nfs/dbraw/zinc/21/47/49/388214749.db2.gz WTQXQQDCBOQHHJ-NSHDSACASA-N 1 1 235.293 3.760 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC000489460789 388216611 /nfs/dbraw/zinc/21/66/11/388216611.db2.gz HNYPJBHWPVKONY-CYBMUJFWSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC000489460789 388216610 /nfs/dbraw/zinc/21/66/10/388216610.db2.gz HNYPJBHWPVKONY-CYBMUJFWSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC000489460791 388215757 /nfs/dbraw/zinc/21/57/57/388215757.db2.gz HNYPJBHWPVKONY-ZDUSSCGKSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC000489460791 388215756 /nfs/dbraw/zinc/21/57/56/388215756.db2.gz HNYPJBHWPVKONY-ZDUSSCGKSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC000489465839 388215840 /nfs/dbraw/zinc/21/58/40/388215840.db2.gz VPWVYQYNPUPQLK-CYBMUJFWSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC000489465839 388215838 /nfs/dbraw/zinc/21/58/38/388215838.db2.gz VPWVYQYNPUPQLK-CYBMUJFWSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC000489465840 388215800 /nfs/dbraw/zinc/21/58/00/388215800.db2.gz VPWVYQYNPUPQLK-ZDUSSCGKSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC000489465840 388215798 /nfs/dbraw/zinc/21/57/98/388215798.db2.gz VPWVYQYNPUPQLK-ZDUSSCGKSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000489471891 388217372 /nfs/dbraw/zinc/21/73/72/388217372.db2.gz HKRHMWDIKURHJQ-GFCCVEGCSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000489471891 388217370 /nfs/dbraw/zinc/21/73/70/388217370.db2.gz HKRHMWDIKURHJQ-GFCCVEGCSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000489471892 388217228 /nfs/dbraw/zinc/21/72/28/388217228.db2.gz HKRHMWDIKURHJQ-LBPRGKRZSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000489471892 388217226 /nfs/dbraw/zinc/21/72/26/388217226.db2.gz HKRHMWDIKURHJQ-LBPRGKRZSA-N 1 1 237.293 3.505 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000489479160 388217318 /nfs/dbraw/zinc/21/73/18/388217318.db2.gz KZLBTEBNFABZIR-HNNXBMFYSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000489479161 388217694 /nfs/dbraw/zinc/21/76/94/388217694.db2.gz KZLBTEBNFABZIR-OAHLLOKOSA-N 1 1 215.340 3.536 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1SC ZINC000489485972 388218609 /nfs/dbraw/zinc/21/86/09/388218609.db2.gz HTGNMWAEBOLJAD-AWEZNQCLSA-N 1 1 247.407 3.949 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1SC ZINC000489485973 388218128 /nfs/dbraw/zinc/21/81/28/388218128.db2.gz HTGNMWAEBOLJAD-CQSZACIVSA-N 1 1 247.407 3.949 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000489500746 388219544 /nfs/dbraw/zinc/21/95/44/388219544.db2.gz VMOYPKJBZDOTPQ-INIZCTEOSA-N 1 1 229.367 3.660 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000489500747 527456491 /nfs/dbraw/zinc/45/64/91/527456491.db2.gz VMOYPKJBZDOTPQ-MRXNPFEDSA-N 1 1 229.367 3.660 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1 ZINC000489501647 388220147 /nfs/dbraw/zinc/22/01/47/388220147.db2.gz VBFAZAGROCDANU-HNNXBMFYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1 ZINC000489501648 388219766 /nfs/dbraw/zinc/21/97/66/388219766.db2.gz VBFAZAGROCDANU-OAHLLOKOSA-N 1 1 245.366 3.626 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000489506464 388219601 /nfs/dbraw/zinc/21/96/01/388219601.db2.gz HDVWWKHNYKSWRR-AWEZNQCLSA-N 1 1 247.407 3.949 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000489506465 388219869 /nfs/dbraw/zinc/21/98/69/388219869.db2.gz HDVWWKHNYKSWRR-CQSZACIVSA-N 1 1 247.407 3.949 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000489512731 388219612 /nfs/dbraw/zinc/21/96/12/388219612.db2.gz OJLFFPHKDPOSFG-GFCCVEGCSA-N 1 1 248.395 3.561 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000489512731 388219609 /nfs/dbraw/zinc/21/96/09/388219609.db2.gz OJLFFPHKDPOSFG-GFCCVEGCSA-N 1 1 248.395 3.561 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000489512732 388219964 /nfs/dbraw/zinc/21/99/64/388219964.db2.gz OJLFFPHKDPOSFG-LBPRGKRZSA-N 1 1 248.395 3.561 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000489512732 388219961 /nfs/dbraw/zinc/21/99/61/388219961.db2.gz OJLFFPHKDPOSFG-LBPRGKRZSA-N 1 1 248.395 3.561 20 30 BHEDMO CCC[N@H+](Cc1ccc(F)cc1C#N)CC(C)C ZINC000489576435 388837979 /nfs/dbraw/zinc/83/79/79/388837979.db2.gz HCFPGBJCEZOWKD-UHFFFAOYSA-N 1 1 248.345 3.565 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)C1(C)CCCC1 ZINC000489857277 388226461 /nfs/dbraw/zinc/22/64/61/388226461.db2.gz LGHVMSLIZUYCAO-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO Cc1cc(C[N@H+](C)C2(C)CCCC2)ccc1C#N ZINC000489867063 388843141 /nfs/dbraw/zinc/84/31/41/388843141.db2.gz ACQJBHCVCHTJJK-UHFFFAOYSA-N 1 1 242.366 3.631 20 30 BHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1(C)CCCC1 ZINC000489874111 388227390 /nfs/dbraw/zinc/22/73/90/388227390.db2.gz OUEBUVOGZZFOHN-UHFFFAOYSA-N 1 1 242.366 3.517 20 30 BHEDMO C[N@@H+](CCCCC(C)(C)C#N)C1(C)CCCC1 ZINC000489875910 388227219 /nfs/dbraw/zinc/22/72/19/388227219.db2.gz SKXRTLZBGLPPJE-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490041717 388232406 /nfs/dbraw/zinc/23/24/06/388232406.db2.gz NBRGJQGEWDVINS-INIZCTEOSA-N 1 1 244.382 3.529 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490041722 388232320 /nfs/dbraw/zinc/23/23/20/388232320.db2.gz NBRGJQGEWDVINS-MRXNPFEDSA-N 1 1 244.382 3.529 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490065650 388233618 /nfs/dbraw/zinc/23/36/18/388233618.db2.gz KMVPJTFJQHCINO-GDBMZVCRSA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490065651 388233069 /nfs/dbraw/zinc/23/30/69/388233069.db2.gz KMVPJTFJQHCINO-GOEBONIOSA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490065653 388233636 /nfs/dbraw/zinc/23/36/36/388233636.db2.gz KMVPJTFJQHCINO-HOCLYGCPSA-N 1 1 229.367 3.749 20 30 BHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490065654 388233136 /nfs/dbraw/zinc/23/31/36/388233136.db2.gz KMVPJTFJQHCINO-ZBFHGGJFSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(F)ccc1C ZINC000490363713 388237534 /nfs/dbraw/zinc/23/75/34/388237534.db2.gz HCVHVYGCYGLUFM-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)C ZINC000490389096 388344986 /nfs/dbraw/zinc/34/49/86/388344986.db2.gz DYFBHWFFYIXPTL-GFCCVEGCSA-N 1 1 230.355 3.597 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)C ZINC000490389097 388345516 /nfs/dbraw/zinc/34/55/16/388345516.db2.gz DYFBHWFFYIXPTL-LBPRGKRZSA-N 1 1 230.355 3.597 20 30 BHEDMO C#CC[N@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000490781229 388254097 /nfs/dbraw/zinc/25/40/97/388254097.db2.gz YYPNQKBJSYRCCG-UHFFFAOYSA-N 1 1 246.398 3.584 20 30 BHEDMO C#CC[N@H+](CC(C)(C)CCC#N)C1CCCCC1 ZINC000490876522 259507648 /nfs/dbraw/zinc/50/76/48/259507648.db2.gz UVCSDFYKDMTZSL-UHFFFAOYSA-N 1 1 246.398 3.584 20 30 BHEDMO C=CC[N@@H+](CCc1ccco1)CC1CCCC1 ZINC000491309706 388284553 /nfs/dbraw/zinc/28/45/53/388284553.db2.gz YDBOHZLCRYCXMZ-UHFFFAOYSA-N 1 1 233.355 3.500 20 30 BHEDMO C=CC[N@@H+](CCCCC)CCc1ccco1 ZINC000491342622 388287131 /nfs/dbraw/zinc/28/71/31/388287131.db2.gz JYWQLYOMHUSZDM-UHFFFAOYSA-N 1 1 221.344 3.500 20 30 BHEDMO C#CC[N@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000491672283 388309942 /nfs/dbraw/zinc/30/99/42/388309942.db2.gz GYOSJFPLPGVQNM-UHFFFAOYSA-N 1 1 246.398 3.584 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)ccc1C ZINC000491873321 388325591 /nfs/dbraw/zinc/32/55/91/388325591.db2.gz FDCMOZBIEHRTGA-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C=CCCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492290549 388340523 /nfs/dbraw/zinc/34/05/23/388340523.db2.gz KWGCMFAELWWOFL-UHFFFAOYSA-N 1 1 237.774 3.781 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000494100663 527251226 /nfs/dbraw/zinc/25/12/26/527251226.db2.gz YKXJQPVAMPVKEK-CHWSQXEVSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCS[C@@H](C)CC1 ZINC000494100664 527250941 /nfs/dbraw/zinc/25/09/41/527250941.db2.gz YKXJQPVAMPVKEK-OLZOCXBDSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000494100665 527276017 /nfs/dbraw/zinc/27/60/17/527276017.db2.gz YKXJQPVAMPVKEK-QWHCGFSZSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCS[C@@H](C)CC1 ZINC000494100666 527275317 /nfs/dbraw/zinc/27/53/17/527275317.db2.gz YKXJQPVAMPVKEK-STQMWFEESA-N 1 1 227.417 3.559 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494135783 526851026 /nfs/dbraw/zinc/85/10/26/526851026.db2.gz IMPYYEYNURLUOW-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCCCC#N ZINC000494261646 527532913 /nfs/dbraw/zinc/53/29/13/527532913.db2.gz HKTWQAMQLLNPKW-FYWRMAATSA-N 1 1 242.366 3.716 20 30 BHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCCCC#N ZINC000494261647 527504931 /nfs/dbraw/zinc/50/49/31/527504931.db2.gz HKTWQAMQLLNPKW-SQFISAMPSA-N 1 1 242.366 3.716 20 30 BHEDMO C=C(CC)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494293687 526849087 /nfs/dbraw/zinc/84/90/87/526849087.db2.gz RNSSALWYQZRIOW-PTNGSMBKSA-N 1 1 229.367 3.988 20 30 BHEDMO C=C(CC)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494293688 526849362 /nfs/dbraw/zinc/84/93/62/526849362.db2.gz RNSSALWYQZRIOW-RVDMUPIBSA-N 1 1 229.367 3.988 20 30 BHEDMO C=CC[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000494627379 527575137 /nfs/dbraw/zinc/57/51/37/527575137.db2.gz YUWOBEPJWXQVFB-UHFFFAOYSA-N 1 1 241.787 3.550 20 30 BHEDMO C=CC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000494628020 527574317 /nfs/dbraw/zinc/57/43/17/527574317.db2.gz AESWLVMZZAAMIO-UHFFFAOYSA-N 1 1 225.335 3.500 20 30 BHEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000494636246 527574351 /nfs/dbraw/zinc/57/43/51/527574351.db2.gz IDYFNUHGEBJTMQ-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C=CC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000494636246 527574345 /nfs/dbraw/zinc/57/43/45/527574345.db2.gz IDYFNUHGEBJTMQ-UHFFFAOYSA-N 1 1 230.138 3.611 20 30 BHEDMO C=CC[N@H+](C)Cc1ccc(SC(C)C)cc1 ZINC000494638313 527574784 /nfs/dbraw/zinc/57/47/84/527574784.db2.gz QGCNVPQWBDCRRE-UHFFFAOYSA-N 1 1 235.396 3.805 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC000494673322 527578044 /nfs/dbraw/zinc/57/80/44/527578044.db2.gz PVBJAQOFZMYYRC-SECBINFHSA-N 1 1 227.710 3.658 20 30 BHEDMO C=CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC000494673322 527578042 /nfs/dbraw/zinc/57/80/42/527578042.db2.gz PVBJAQOFZMYYRC-SECBINFHSA-N 1 1 227.710 3.658 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC000494673333 527577298 /nfs/dbraw/zinc/57/72/98/527577298.db2.gz PVBJAQOFZMYYRC-VIFPVBQESA-N 1 1 227.710 3.658 20 30 BHEDMO C=CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC000494673333 527577292 /nfs/dbraw/zinc/57/72/92/527577292.db2.gz PVBJAQOFZMYYRC-VIFPVBQESA-N 1 1 227.710 3.658 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)CCSc1ccccc1 ZINC000494689422 527578060 /nfs/dbraw/zinc/57/80/60/527578060.db2.gz HRUKESFJXYPYAE-CYBMUJFWSA-N 1 1 235.396 3.675 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000494689423 527578136 /nfs/dbraw/zinc/57/81/36/527578136.db2.gz HRUKESFJXYPYAE-ZDUSSCGKSA-N 1 1 235.396 3.675 20 30 BHEDMO C=CC[N@@H+](C)CCSc1ccc(C)c(C)c1 ZINC000494692125 527575753 /nfs/dbraw/zinc/57/57/53/527575753.db2.gz WONSGDJGNXZSQY-UHFFFAOYSA-N 1 1 235.396 3.513 20 30 BHEDMO C=CC[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC000494700646 527575506 /nfs/dbraw/zinc/57/55/06/527575506.db2.gz WWNFKADBBPKBLS-UHFFFAOYSA-N 1 1 225.335 3.766 20 30 BHEDMO C=CC[N@@H+](C)CCCc1cccc2ccccc21 ZINC000494710753 527573545 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20 30 BHEDMO C=CCC[N@@H+](C)CCSC1CCCCC1 ZINC000501884166 527320930 /nfs/dbraw/zinc/32/09/30/527320930.db2.gz CIONNQQPUAAKTP-UHFFFAOYSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000502841194 527132019 /nfs/dbraw/zinc/13/20/19/527132019.db2.gz ILQSADNWLIHBCO-GFCCVEGCSA-N 1 1 231.330 3.852 20 30 BHEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000502841194 527132013 /nfs/dbraw/zinc/13/20/13/527132013.db2.gz ILQSADNWLIHBCO-GFCCVEGCSA-N 1 1 231.330 3.852 20 30 BHEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000502841196 527132048 /nfs/dbraw/zinc/13/20/48/527132048.db2.gz ILQSADNWLIHBCO-LBPRGKRZSA-N 1 1 231.330 3.852 20 30 BHEDMO C=CCCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000502841196 527132047 /nfs/dbraw/zinc/13/20/47/527132047.db2.gz ILQSADNWLIHBCO-LBPRGKRZSA-N 1 1 231.330 3.852 20 30 BHEDMO C=CC[N@H+](C/C(C)=C\c1ccccc1)C1CC1 ZINC000503560635 527579376 /nfs/dbraw/zinc/57/93/76/527579376.db2.gz XYMMHFZXXCEPCK-OWBHPGMISA-N 1 1 227.351 3.740 20 30 BHEDMO 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/nfs/dbraw/zinc/44/27/48/526442748.db2.gz GTUHPHIUOBHDRE-UHFFFAOYSA-N 1 1 242.366 3.735 20 30 BHEDMO C=C(C)CC[N@@H+](Cc1cccs1)C(C)C ZINC000509260757 526442162 /nfs/dbraw/zinc/44/21/62/526442162.db2.gz VQQLXHQDUAGWPJ-UHFFFAOYSA-N 1 1 223.385 3.925 20 30 BHEDMO C=CC[N@H+](CCC(=C)C)Cc1ccccc1F ZINC000509260821 526270949 /nfs/dbraw/zinc/27/09/49/526270949.db2.gz WPPYMPAEPJEDGL-UHFFFAOYSA-N 1 1 233.330 3.780 20 30 BHEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000509262386 526444992 /nfs/dbraw/zinc/44/49/92/526444992.db2.gz HGJJCXIXSNFXPB-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000509262389 526444445 /nfs/dbraw/zinc/44/44/45/526444445.db2.gz HGJJCXIXSNFXPB-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CC[N@@H+](CCC(=C)C)CCc1ccccc1 ZINC000509262648 526271788 /nfs/dbraw/zinc/27/17/88/526271788.db2.gz IIDCDUNDGJEOJU-UHFFFAOYSA-N 1 1 229.367 3.683 20 30 BHEDMO C=C(C)CC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000509262896 526440769 /nfs/dbraw/zinc/44/07/69/526440769.db2.gz JEXKYNSVXRWOOC-AWEZNQCLSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(C)CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000509262899 526440133 /nfs/dbraw/zinc/44/01/33/526440133.db2.gz JEXKYNSVXRWOOC-CQSZACIVSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(C)CC[N@H+](CC)CCc1ccccc1 ZINC000509265734 526439972 /nfs/dbraw/zinc/43/99/72/526439972.db2.gz VTSGMLZKVDMKPK-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000509275486 526438666 /nfs/dbraw/zinc/43/86/66/526438666.db2.gz FEQUJSXTAUSVSY-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000509275493 526440065 /nfs/dbraw/zinc/44/00/65/526440065.db2.gz FEQUJSXTAUSVSY-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000509276607 526444558 /nfs/dbraw/zinc/44/45/58/526444558.db2.gz KXZGCGKJLQBIBG-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000509276608 526443896 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/nfs/dbraw/zinc/27/16/08/526271608.db2.gz DDPINRPNVYGXCN-UHFFFAOYSA-N 1 1 240.350 3.512 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000509293766 526441263 /nfs/dbraw/zinc/44/12/63/526441263.db2.gz JIRJUIXATQPMBE-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000509293767 526439382 /nfs/dbraw/zinc/43/93/82/526439382.db2.gz JIRJUIXATQPMBE-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(C)CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000509295057 526444315 /nfs/dbraw/zinc/44/43/15/526444315.db2.gz RDSRXZGFXRVBQY-AWEZNQCLSA-N 1 1 207.361 3.607 20 30 BHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000509295058 526444626 /nfs/dbraw/zinc/44/46/26/526444626.db2.gz RDSRXZGFXRVBQY-CQSZACIVSA-N 1 1 207.361 3.607 20 30 BHEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C(C)C ZINC000509297339 526442180 /nfs/dbraw/zinc/44/21/80/526442180.db2.gz YMWVVSIJPWASKQ-UHFFFAOYSA-N 1 1 217.356 3.863 20 30 BHEDMO C=C(C)CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000509311045 526442401 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C=C(C)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000515502556 256749047 /nfs/dbraw/zinc/74/90/47/256749047.db2.gz ANSXQDMQGVBQRZ-UHFFFAOYSA-N 1 1 207.361 3.606 20 30 BHEDMO C=CC[N@@H+](C1CC1)C1CCC(CC)CC1 ZINC000515502637 387391896 /nfs/dbraw/zinc/39/18/96/387391896.db2.gz DLZJBAPXLVJKLA-UHFFFAOYSA-N 1 1 207.361 3.606 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cccc(OC(C)C)c1 ZINC000515540402 387393690 /nfs/dbraw/zinc/39/36/90/387393690.db2.gz RLURZWOJFIAYDC-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CCCCC#N ZINC000515631656 387404911 /nfs/dbraw/zinc/40/49/11/387404911.db2.gz IGLBKOGBDPTODB-HNNXBMFYSA-N 1 1 244.382 3.552 20 30 BHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCCC#N ZINC000515631657 256751068 /nfs/dbraw/zinc/75/10/68/256751068.db2.gz IGLBKOGBDPTODB-OAHLLOKOSA-N 1 1 244.382 3.552 20 30 BHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000515771665 387422706 /nfs/dbraw/zinc/42/27/06/387422706.db2.gz HVXSZJKSNNZSIK-ILXRZTDVSA-N 1 1 246.398 3.581 20 30 BHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000515771666 387422902 /nfs/dbraw/zinc/42/29/02/387422902.db2.gz HVXSZJKSNNZSIK-KFWWJZLASA-N 1 1 246.398 3.581 20 30 BHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 ZINC000515771667 387423459 /nfs/dbraw/zinc/42/34/59/387423459.db2.gz HVXSZJKSNNZSIK-QLFBSQMISA-N 1 1 246.398 3.581 20 30 BHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 ZINC000515771671 256754881 /nfs/dbraw/zinc/75/48/81/256754881.db2.gz HVXSZJKSNNZSIK-RBSFLKMASA-N 1 1 246.398 3.581 20 30 BHEDMO C=C(C)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000516307527 387499419 /nfs/dbraw/zinc/49/94/19/387499419.db2.gz QINMTCOUHIXUJU-UHFFFAOYSA-N 1 1 221.319 3.612 20 30 BHEDMO CCC(CC)[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000516679248 398303285 /nfs/dbraw/zinc/30/32/85/398303285.db2.gz MIBIDAVPKOMXGN-UHFFFAOYSA-N 1 1 248.345 3.708 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000516806288 388517960 /nfs/dbraw/zinc/51/79/60/388517960.db2.gz BKBZBXFHKUOQRV-HNNXBMFYSA-N 1 1 231.383 3.906 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000516806289 388518503 /nfs/dbraw/zinc/51/85/03/388518503.db2.gz BKBZBXFHKUOQRV-OAHLLOKOSA-N 1 1 231.383 3.906 20 30 BHEDMO CCC(CC)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000517125655 388660733 /nfs/dbraw/zinc/66/07/33/388660733.db2.gz SXFBXPMOLYXXNP-UHFFFAOYSA-N 1 1 242.366 3.711 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000517834427 384524060 /nfs/dbraw/zinc/52/40/60/384524060.db2.gz IMDQERKOQSOZOE-AWEZNQCLSA-N 1 1 249.785 3.923 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000517834428 384522468 /nfs/dbraw/zinc/52/24/68/384522468.db2.gz IMDQERKOQSOZOE-CQSZACIVSA-N 1 1 249.785 3.923 20 30 BHEDMO C=C(C)C[N@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000517840876 384523900 /nfs/dbraw/zinc/52/39/00/384523900.db2.gz YZUMESNZDOVDDK-KRWDZBQOSA-N 1 1 243.394 3.832 20 30 BHEDMO C=C(C)C[N@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000517840877 384523788 /nfs/dbraw/zinc/52/37/88/384523788.db2.gz YZUMESNZDOVDDK-QGZVFWFLSA-N 1 1 243.394 3.832 20 30 BHEDMO C=C(C)CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000517905019 256554051 /nfs/dbraw/zinc/55/40/51/256554051.db2.gz CEQRENPWZWQGBQ-UHFFFAOYSA-N 1 1 227.351 3.742 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(C)CC1 ZINC000518045384 384631431 /nfs/dbraw/zinc/63/14/31/384631431.db2.gz OJNHEPLIXABLAR-UHFFFAOYSA-N 1 1 233.330 3.614 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000518251521 384859138 /nfs/dbraw/zinc/85/91/38/384859138.db2.gz OAZUUZGGAVAYOS-AWEZNQCLSA-N 1 1 233.330 3.581 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000518251522 384858065 /nfs/dbraw/zinc/85/80/65/384858065.db2.gz OAZUUZGGAVAYOS-CQSZACIVSA-N 1 1 233.330 3.581 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000518559939 384008653 /nfs/dbraw/zinc/00/86/53/384008653.db2.gz LZAPADDKBYNRSV-GDBMZVCRSA-N 1 1 244.382 3.616 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000518559940 384009855 /nfs/dbraw/zinc/00/98/55/384009855.db2.gz LZAPADDKBYNRSV-GOEBONIOSA-N 1 1 244.382 3.616 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000518559941 256579641 /nfs/dbraw/zinc/57/96/41/256579641.db2.gz LZAPADDKBYNRSV-HOCLYGCPSA-N 1 1 244.382 3.616 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000518559942 384010055 /nfs/dbraw/zinc/01/00/55/384010055.db2.gz LZAPADDKBYNRSV-ZBFHGGJFSA-N 1 1 244.382 3.616 20 30 BHEDMO C=C1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000518678232 384176201 /nfs/dbraw/zinc/17/62/01/384176201.db2.gz MCIAEQJCALBSTM-LLVKDONJSA-N 1 1 237.293 3.678 20 30 BHEDMO C=C1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000518678233 384176472 /nfs/dbraw/zinc/17/64/72/384176472.db2.gz MCIAEQJCALBSTM-NSHDSACASA-N 1 1 237.293 3.678 20 30 BHEDMO C=CC[N@H+](CCC(C)C)Cc1ccccc1F ZINC000519068692 386998337 /nfs/dbraw/zinc/99/83/37/386998337.db2.gz LUGJBRFDKNFYLL-UHFFFAOYSA-N 1 1 235.346 3.860 20 30 BHEDMO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC#N)CCC2 ZINC000519142010 387019586 /nfs/dbraw/zinc/01/95/86/387019586.db2.gz VHUSQNATJIHABV-INIZCTEOSA-N 1 1 242.366 3.691 20 30 BHEDMO C=CC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000519220005 387033870 /nfs/dbraw/zinc/03/38/70/387033870.db2.gz WITZRGTVPOLVEY-HNNXBMFYSA-N 1 1 215.340 3.790 20 30 BHEDMO C=CC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000519220006 387033878 /nfs/dbraw/zinc/03/38/78/387033878.db2.gz WITZRGTVPOLVEY-OAHLLOKOSA-N 1 1 215.340 3.790 20 30 BHEDMO C=CCCCC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000519712386 386541908 /nfs/dbraw/zinc/54/19/08/386541908.db2.gz TXMQVYSBWLPTGS-HNNXBMFYSA-N 1 1 244.382 3.536 20 30 BHEDMO C=CCCCC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000519712421 386542340 /nfs/dbraw/zinc/54/23/40/386542340.db2.gz TXMQVYSBWLPTGS-OAHLLOKOSA-N 1 1 244.382 3.536 20 30 BHEDMO C=CC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903760 386580083 /nfs/dbraw/zinc/58/00/83/386580083.db2.gz YCIPGOPSXIJROR-JTQLQIEISA-N 1 1 243.272 3.884 20 30 BHEDMO C=CC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000519903761 256663914 /nfs/dbraw/zinc/66/39/14/256663914.db2.gz YCIPGOPSXIJROR-SNVBAGLBSA-N 1 1 243.272 3.884 20 30 BHEDMO C=CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519968693 259303503 /nfs/dbraw/zinc/30/35/03/259303503.db2.gz WUWKPWMAOFMQDG-GOSISDBHSA-N 1 1 249.357 3.820 20 30 BHEDMO C=CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519968694 259303571 /nfs/dbraw/zinc/30/35/71/259303571.db2.gz WUWKPWMAOFMQDG-SFHVURJKSA-N 1 1 249.357 3.820 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OC(C)C ZINC000519997897 385187515 /nfs/dbraw/zinc/18/75/15/385187515.db2.gz MOSBSLIPJLVZGX-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CC[N@H+](CCC(C)C)Cc1cccc(C#N)c1 ZINC000520137737 323181303 /nfs/dbraw/zinc/18/13/03/323181303.db2.gz KNYWEWZQFJDMRN-UHFFFAOYSA-N 1 1 242.366 3.592 20 30 BHEDMO C=C(C)C[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000520172224 386588730 /nfs/dbraw/zinc/58/87/30/386588730.db2.gz YKKAQTNMEFNTQL-INIZCTEOSA-N 1 1 229.367 3.962 20 30 BHEDMO C=C(C)C[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000520172225 386588100 /nfs/dbraw/zinc/58/81/00/386588100.db2.gz YKKAQTNMEFNTQL-MRXNPFEDSA-N 1 1 229.367 3.962 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000520173693 386588312 /nfs/dbraw/zinc/58/83/12/386588312.db2.gz WGJGZDVJUYCANR-UHFFFAOYSA-N 1 1 221.319 3.612 20 30 BHEDMO C=CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000520173755 386586807 /nfs/dbraw/zinc/58/68/07/386586807.db2.gz ZLNITHRXLCHCQX-UHFFFAOYSA-N 1 1 217.356 3.639 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173837 386589406 /nfs/dbraw/zinc/58/94/06/386589406.db2.gz DLYCNNZCRHXURP-UHFFFAOYSA-N 1 1 242.366 3.592 20 30 BHEDMO C=C(C)C[N@H+](CCC)Cc1ccc(F)cc1 ZINC000520174151 386590589 /nfs/dbraw/zinc/59/05/89/386590589.db2.gz WLBSGMOABIEYMC-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO CCC(CC)[N@@H+](CC)Cc1ccccc1C#N ZINC000520281431 386644080 /nfs/dbraw/zinc/64/40/80/386644080.db2.gz XGYUDWFTJFEVRM-UHFFFAOYSA-N 1 1 230.355 3.569 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520382747 386665131 /nfs/dbraw/zinc/66/51/31/386665131.db2.gz ZBCIWTBDBWNPDJ-OAHLLOKOSA-N 1 1 215.340 3.626 20 30 BHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000520423902 370343125 /nfs/dbraw/zinc/34/31/25/370343125.db2.gz PLLGGWKDIWGWOK-BXUZGUMPSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000520423903 370343136 /nfs/dbraw/zinc/34/31/36/370343136.db2.gz PLLGGWKDIWGWOK-FZMZJTMJSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000520423904 370343019 /nfs/dbraw/zinc/34/30/19/370343019.db2.gz PLLGGWKDIWGWOK-RISCZKNCSA-N 1 1 248.395 3.630 20 30 BHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000520423905 370343313 /nfs/dbraw/zinc/34/33/13/370343313.db2.gz PLLGGWKDIWGWOK-SMDDNHRTSA-N 1 1 248.395 3.630 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000520433352 386674312 /nfs/dbraw/zinc/67/43/12/386674312.db2.gz SCNDHBAEQXFCSV-GDBMZVCRSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000520433353 386674785 /nfs/dbraw/zinc/67/47/85/386674785.db2.gz SCNDHBAEQXFCSV-GOEBONIOSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000520433354 386675470 /nfs/dbraw/zinc/67/54/70/386675470.db2.gz SCNDHBAEQXFCSV-HOCLYGCPSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000520433355 386675014 /nfs/dbraw/zinc/67/50/14/386675014.db2.gz SCNDHBAEQXFCSV-ZBFHGGJFSA-N 1 1 229.367 3.831 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000520459888 386681045 /nfs/dbraw/zinc/68/10/45/386681045.db2.gz NGFFBENOIAKKNH-HNNXBMFYSA-N 1 1 245.366 3.550 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(O)c(C)c1 ZINC000520459889 386680592 /nfs/dbraw/zinc/68/05/92/386680592.db2.gz NGFFBENOIAKKNH-OAHLLOKOSA-N 1 1 245.366 3.550 20 30 BHEDMO C=C(C)C[N@H+](CCc1ccccc1)CC(C)C ZINC000520605889 386705037 /nfs/dbraw/zinc/70/50/37/386705037.db2.gz KPYJOICOGNTPRA-UHFFFAOYSA-N 1 1 231.383 3.763 20 30 BHEDMO C=CCCCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000520727549 386787350 /nfs/dbraw/zinc/78/73/50/386787350.db2.gz KUSCZQBTOAOEFH-LLVKDONJSA-N 1 1 235.293 3.617 20 30 BHEDMO C=CCCCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000520727553 386787314 /nfs/dbraw/zinc/78/73/14/386787314.db2.gz KUSCZQBTOAOEFH-NSHDSACASA-N 1 1 235.293 3.617 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000520936746 388558359 /nfs/dbraw/zinc/55/83/59/388558359.db2.gz HVGBTMBPFUWIQY-AWEZNQCLSA-N 1 1 247.382 3.524 20 30 BHEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000520936749 388558919 /nfs/dbraw/zinc/55/89/19/388558919.db2.gz HVGBTMBPFUWIQY-CQSZACIVSA-N 1 1 247.382 3.524 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000521187351 363121972 /nfs/dbraw/zinc/12/19/72/363121972.db2.gz KVCJMJYBHXLREU-UHFFFAOYSA-N 1 1 215.340 3.536 20 30 BHEDMO C=CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000521188614 324178826 /nfs/dbraw/zinc/17/88/26/324178826.db2.gz HSLVSXVPTBSQMI-UHFFFAOYSA-N 1 1 247.357 3.799 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1F)CC(C)C ZINC000521189446 384928652 /nfs/dbraw/zinc/92/86/52/384928652.db2.gz BYCRRABWMAVAPT-UHFFFAOYSA-N 1 1 235.346 3.860 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC(C)C ZINC000521189584 324178847 /nfs/dbraw/zinc/17/88/47/324178847.db2.gz JEYPWPMIKQDIRT-UHFFFAOYSA-N 1 1 217.356 3.721 20 30 BHEDMO C=CC[N@H+](CCC)Cc1c(F)cccc1Cl ZINC000521192496 324179030 /nfs/dbraw/zinc/17/90/30/324179030.db2.gz AQPPAIVVQQNIRE-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CC[N@@H+](CCC)Cc1c(F)cccc1Cl ZINC000521192496 324179025 /nfs/dbraw/zinc/17/90/25/324179025.db2.gz AQPPAIVVQQNIRE-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000521193552 324178876 /nfs/dbraw/zinc/17/88/76/324178876.db2.gz IKILGSPHRMECPN-CYBMUJFWSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CC[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000521193553 324178485 /nfs/dbraw/zinc/17/84/85/324178485.db2.gz IKILGSPHRMECPN-ZDUSSCGKSA-N 1 1 233.355 3.654 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000521195552 324179075 /nfs/dbraw/zinc/17/90/75/324179075.db2.gz GXGBJRKHDUYRFR-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CC[NH+](CC=C)Cc1ccccc1OC(C)C ZINC000521374340 384432572 /nfs/dbraw/zinc/43/25/72/384432572.db2.gz ZARARVUDQPZLDL-UHFFFAOYSA-N 1 1 245.366 3.648 20 30 BHEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000521543307 388616691 /nfs/dbraw/zinc/61/66/91/388616691.db2.gz TYTLKIHDROZFDZ-HNNXBMFYSA-N 1 1 232.371 3.518 20 30 BHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000521543308 388616784 /nfs/dbraw/zinc/61/67/84/388616784.db2.gz TYTLKIHDROZFDZ-OAHLLOKOSA-N 1 1 232.371 3.518 20 30 BHEDMO C=C(C)C[N@H+](CCC(C)C)C1CCCC1 ZINC000521815462 388629805 /nfs/dbraw/zinc/62/98/05/388629805.db2.gz IBIWPFIYTYBNGY-UHFFFAOYSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CC[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000521819326 388630550 /nfs/dbraw/zinc/63/05/50/388630550.db2.gz YVKJMQIBYMXFIQ-HNNXBMFYSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CC[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000521819327 388630849 /nfs/dbraw/zinc/63/08/49/388630849.db2.gz YVKJMQIBYMXFIQ-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](C[C@H](C)C1CCCCC1)C1CC1 ZINC000521837071 259553408 /nfs/dbraw/zinc/55/34/08/259553408.db2.gz YWCVFFOMYQJKAA-KBPBESRZSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000521837072 388633677 /nfs/dbraw/zinc/63/36/77/388633677.db2.gz YWCVFFOMYQJKAA-KGLIPLIRSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837073 388633794 /nfs/dbraw/zinc/63/37/94/388633794.db2.gz YWCVFFOMYQJKAA-UONOGXRCSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@H](C#N)C[N@@H+](C[C@@H](C)C1CCCCC1)C1CC1 ZINC000521837074 388633142 /nfs/dbraw/zinc/63/31/42/388633142.db2.gz YWCVFFOMYQJKAA-ZIAGYGMSSA-N 1 1 248.414 3.827 20 30 BHEDMO C=CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000522659324 388770576 /nfs/dbraw/zinc/77/05/76/388770576.db2.gz OEFRRBMRYFGJIM-UHFFFAOYSA-N 1 1 249.785 3.781 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000522775449 350004605 /nfs/dbraw/zinc/00/46/05/350004605.db2.gz WMKIYBDJMMNTAK-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCCC[N@H+](C)CCCc1ccc(OC)cc1 ZINC000522775477 350004224 /nfs/dbraw/zinc/00/42/24/350004224.db2.gz ZLNJSPHLKZBCBF-UHFFFAOYSA-N 1 1 247.382 3.526 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000522775661 262744949 /nfs/dbraw/zinc/74/49/49/262744949.db2.gz RXOGHTYPFCYBDC-UHFFFAOYSA-N 1 1 217.356 3.783 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000522775664 385869824 /nfs/dbraw/zinc/86/98/24/385869824.db2.gz SBDJFKRRDGUHPG-HNNXBMFYSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000522775665 385870124 /nfs/dbraw/zinc/87/01/24/385870124.db2.gz SBDJFKRRDGUHPG-OAHLLOKOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000522775867 385870082 /nfs/dbraw/zinc/87/00/82/385870082.db2.gz GJEYNZVSQSEMME-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000522776212 350005360 /nfs/dbraw/zinc/00/53/60/350005360.db2.gz QQKSPWBTNZBPDF-INIZCTEOSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000522776213 350005153 /nfs/dbraw/zinc/00/51/53/350005153.db2.gz QQKSPWBTNZBPDF-MRXNPFEDSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1cccc(F)c1 ZINC000522776612 385869187 /nfs/dbraw/zinc/86/91/87/385869187.db2.gz RVDZSRJRKSMNNG-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO C=CCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000522776676 385868363 /nfs/dbraw/zinc/86/83/63/385868363.db2.gz WASPQOMXUSEAKP-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000522777044 350012517 /nfs/dbraw/zinc/01/25/17/350012517.db2.gz PKZVBKOARHVLSS-CYBMUJFWSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@H](SCC)C1 ZINC000522777045 350011948 /nfs/dbraw/zinc/01/19/48/350011948.db2.gz PKZVBKOARHVLSS-ZDUSSCGKSA-N 1 1 227.417 3.560 20 30 BHEDMO C=CCCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000522777721 259414350 /nfs/dbraw/zinc/41/43/50/259414350.db2.gz UJOPKEDTJOFZQB-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CCCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000522777721 259414349 /nfs/dbraw/zinc/41/43/49/259414349.db2.gz UJOPKEDTJOFZQB-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CCCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000522778152 398094914 /nfs/dbraw/zinc/09/49/14/398094914.db2.gz CKFBFGBEPGYSRD-UHFFFAOYSA-N 1 1 229.367 3.926 20 30 BHEDMO C=CCCC[N@@H+](Cc1cccs1)C(C)C ZINC000522778958 323092187 /nfs/dbraw/zinc/09/21/87/323092187.db2.gz GQXOTONMSGFOMD-UHFFFAOYSA-N 1 1 223.385 3.925 20 30 BHEDMO C=CCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000522779184 323091904 /nfs/dbraw/zinc/09/19/04/323091904.db2.gz QNAALIKMVVDZSL-UHFFFAOYSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000523005571 259640119 /nfs/dbraw/zinc/64/01/19/259640119.db2.gz BORBKQAVCFBXFZ-UHFFFAOYSA-N 1 1 217.356 3.701 20 30 BHEDMO C=CCCC[N@H+](C)C/C=C/c1ccccc1 ZINC000523008196 388788009 /nfs/dbraw/zinc/78/80/09/388788009.db2.gz KNQCGYRQYSGLAG-FMIVXFBMSA-N 1 1 215.340 3.598 20 30 BHEDMO C=CCCC[N@H+](C)C/C=C\c1ccccc1 ZINC000523008197 388787229 /nfs/dbraw/zinc/78/72/29/388787229.db2.gz KNQCGYRQYSGLAG-XFXZXTDPSA-N 1 1 215.340 3.598 20 30 BHEDMO C=CCCC[N@H+](C)CCOc1c(C)cccc1C ZINC000523008889 388787766 /nfs/dbraw/zinc/78/77/66/388787766.db2.gz FILFXJQRNCOKGL-UHFFFAOYSA-N 1 1 247.382 3.580 20 30 BHEDMO C=CCCC[N@H+](C)CCCc1ccccc1 ZINC000523011329 388788828 /nfs/dbraw/zinc/78/88/28/388788828.db2.gz MJSUWDXYLKHNSK-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO CCC(CC)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000523223548 388677690 /nfs/dbraw/zinc/67/76/90/388677690.db2.gz JDTHSKKWDGCCKN-UHFFFAOYSA-N 1 1 242.366 3.711 20 30 BHEDMO C=CCCC[N@H+](C)Cc1c(C)cccc1C ZINC000523442193 398113864 /nfs/dbraw/zinc/11/38/64/398113864.db2.gz PKWWTYOGINIFRU-UHFFFAOYSA-N 1 1 217.356 3.701 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448292 388839111 /nfs/dbraw/zinc/83/91/11/388839111.db2.gz RIXNNLJWZHCNGG-GDBMZVCRSA-N 1 1 229.367 3.954 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448293 388839921 /nfs/dbraw/zinc/83/99/21/388839921.db2.gz RIXNNLJWZHCNGG-GOEBONIOSA-N 1 1 229.367 3.954 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448294 259652848 /nfs/dbraw/zinc/65/28/48/259652848.db2.gz RIXNNLJWZHCNGG-HOCLYGCPSA-N 1 1 229.367 3.954 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448295 388839215 /nfs/dbraw/zinc/83/92/15/388839215.db2.gz RIXNNLJWZHCNGG-ZBFHGGJFSA-N 1 1 229.367 3.954 20 30 BHEDMO C=CCCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000523451113 388839898 /nfs/dbraw/zinc/83/98/98/388839898.db2.gz RRSITGXDZIZIGR-GFCCVEGCSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000523451114 388839769 /nfs/dbraw/zinc/83/97/69/388839769.db2.gz RRSITGXDZIZIGR-LBPRGKRZSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCCCCC[N@H+](C)CC1CCCC1 ZINC000523551023 324208545 /nfs/dbraw/zinc/20/85/45/324208545.db2.gz IAJKCOLCHWIGIX-UHFFFAOYSA-N 1 1 209.377 3.855 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@H]1C=CCCC1 ZINC000523552014 324208176 /nfs/dbraw/zinc/20/81/76/324208176.db2.gz MHTBSDQKWNHPBK-AWEZNQCLSA-N 1 1 207.361 3.773 20 30 BHEDMO C=CCCCCC[N@H+](C)[C@@H]1C=CCCC1 ZINC000523552017 324208196 /nfs/dbraw/zinc/20/81/96/324208196.db2.gz MHTBSDQKWNHPBK-CQSZACIVSA-N 1 1 207.361 3.773 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1C#N ZINC000523552207 324208281 /nfs/dbraw/zinc/20/82/81/324208281.db2.gz RPIPJCUEMAMNRA-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1 ZINC000523558020 324208260 /nfs/dbraw/zinc/20/82/60/324208260.db2.gz MCWKPICKXKRLQB-UHFFFAOYSA-N 1 1 217.356 3.865 20 30 BHEDMO C=C(C)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000523586609 324209067 /nfs/dbraw/zinc/20/90/67/324209067.db2.gz WWOBABCEFRSGTA-UHFFFAOYSA-N 1 1 207.361 3.609 20 30 BHEDMO C=C(C)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000523760651 388859296 /nfs/dbraw/zinc/85/92/96/388859296.db2.gz DXSIOAYDIYUCTK-UHFFFAOYSA-N 1 1 233.330 3.614 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCc1ccc(CC)cc1 ZINC000523775318 388859319 /nfs/dbraw/zinc/85/93/19/388859319.db2.gz JZVHQRBZMQTFQT-UHFFFAOYSA-N 1 1 231.383 3.690 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000524042279 388346378 /nfs/dbraw/zinc/34/63/78/388346378.db2.gz AWOLSUSIGSRUBD-INIZCTEOSA-N 1 1 229.367 3.660 20 30 BHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000524042281 388346318 /nfs/dbraw/zinc/34/63/18/388346318.db2.gz AWOLSUSIGSRUBD-MRXNPFEDSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CC[N@@H+](CCc1ccccc1)[C@H]1C=CCCC1 ZINC000524175792 388349784 /nfs/dbraw/zinc/34/97/84/388349784.db2.gz WCEFYTIKFSPQPO-KRWDZBQOSA-N 1 1 241.378 3.826 20 30 BHEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H]1C=CCCC1 ZINC000524175793 388349715 /nfs/dbraw/zinc/34/97/15/388349715.db2.gz WCEFYTIKFSPQPO-QGZVFWFLSA-N 1 1 241.378 3.826 20 30 BHEDMO C=CCCC[N@H+](C)CCOc1cccc(CC)c1 ZINC000524247866 388353521 /nfs/dbraw/zinc/35/35/21/388353521.db2.gz HLGIDENTBPETQA-UHFFFAOYSA-N 1 1 247.382 3.526 20 30 BHEDMO C=C(C)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000524365608 388355991 /nfs/dbraw/zinc/35/59/91/388355991.db2.gz PPMWYRRTSICPFM-UHFFFAOYSA-N 1 1 207.361 3.607 20 30 BHEDMO C=C1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000524677217 259674489 /nfs/dbraw/zinc/67/44/89/259674489.db2.gz FKJLCABVIAGHRI-LLVKDONJSA-N 1 1 237.293 3.678 20 30 BHEDMO C=C1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000524677218 388372160 /nfs/dbraw/zinc/37/21/60/388372160.db2.gz FKJLCABVIAGHRI-NSHDSACASA-N 1 1 237.293 3.678 20 30 BHEDMO CC#CC[N@@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000524768130 388408064 /nfs/dbraw/zinc/40/80/64/388408064.db2.gz RNBYMIGCHBLKAU-DLBZAZTESA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CC[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000524768131 388407950 /nfs/dbraw/zinc/40/79/50/388407950.db2.gz RNBYMIGCHBLKAU-IAGOWNOFSA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CC[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000524768132 388408176 /nfs/dbraw/zinc/40/81/76/388408176.db2.gz RNBYMIGCHBLKAU-IRXDYDNUSA-N 1 1 241.378 3.668 20 30 BHEDMO CC#CC[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000524768133 388408042 /nfs/dbraw/zinc/40/80/42/388408042.db2.gz RNBYMIGCHBLKAU-SJORKVTESA-N 1 1 241.378 3.668 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000524811213 259692164 /nfs/dbraw/zinc/69/21/64/259692164.db2.gz AVSWZGRCEYCECG-UHFFFAOYSA-N 1 1 217.356 3.818 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000524811259 388410676 /nfs/dbraw/zinc/41/06/76/388410676.db2.gz BTOILFVATMSFTC-INIZCTEOSA-N 1 1 229.367 3.517 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000524811267 259692019 /nfs/dbraw/zinc/69/20/19/259692019.db2.gz BTOILFVATMSFTC-MRXNPFEDSA-N 1 1 229.367 3.517 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000524811394 388410498 /nfs/dbraw/zinc/41/04/98/388410498.db2.gz JCOONNPFDBYDMC-AWEZNQCLSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000524811397 388410349 /nfs/dbraw/zinc/41/03/49/388410349.db2.gz JCOONNPFDBYDMC-CQSZACIVSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000524811407 388410058 /nfs/dbraw/zinc/41/00/58/388410058.db2.gz HYABETXZBPPBFY-LLVKDONJSA-N 1 1 223.747 3.909 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000524811410 388410333 /nfs/dbraw/zinc/41/03/33/388410333.db2.gz HYABETXZBPPBFY-NSHDSACASA-N 1 1 223.747 3.909 20 30 BHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000524811622 388409920 /nfs/dbraw/zinc/40/99/20/388409920.db2.gz FAEDAKSONJWZHB-AWEZNQCLSA-N 1 1 229.367 3.863 20 30 BHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000524811624 388410598 /nfs/dbraw/zinc/41/05/98/388410598.db2.gz FAEDAKSONJWZHB-CQSZACIVSA-N 1 1 229.367 3.863 20 30 BHEDMO C=CCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000524811707 388410328 /nfs/dbraw/zinc/41/03/28/388410328.db2.gz LKXXTPKFZLPNOD-UHFFFAOYSA-N 1 1 229.367 3.865 20 30 BHEDMO C=CCC[N@H+](CCC)Cc1ccc(C)cc1 ZINC000524811769 259692300 /nfs/dbraw/zinc/69/23/00/259692300.db2.gz JRORZUAFBBOLOB-UHFFFAOYSA-N 1 1 217.356 3.783 20 30 BHEDMO C=CCC[N@H+](CCC)Cc1ccc(F)cc1 ZINC000524812077 388410307 /nfs/dbraw/zinc/41/03/07/388410307.db2.gz NLEQSKSGNDNLCV-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000524812194 388410725 /nfs/dbraw/zinc/41/07/25/388410725.db2.gz YNQUFLUZNGVGDG-INIZCTEOSA-N 1 1 229.367 3.616 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000524812195 388410034 /nfs/dbraw/zinc/41/00/34/388410034.db2.gz YNQUFLUZNGVGDG-MRXNPFEDSA-N 1 1 229.367 3.616 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000524812203 388409869 /nfs/dbraw/zinc/40/98/69/388409869.db2.gz ZESPUELZXYFSKW-INIZCTEOSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000524812204 388410779 /nfs/dbraw/zinc/41/07/79/388410779.db2.gz ZESPUELZXYFSKW-MRXNPFEDSA-N 1 1 229.367 3.660 20 30 BHEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000524892890 388413386 /nfs/dbraw/zinc/41/33/86/388413386.db2.gz RLLRTTBGXIZSGV-AWEZNQCLSA-N 1 1 209.377 3.853 20 30 BHEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000524892891 388413135 /nfs/dbraw/zinc/41/31/35/388413135.db2.gz RLLRTTBGXIZSGV-CQSZACIVSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000524907753 388413077 /nfs/dbraw/zinc/41/30/77/388413077.db2.gz DOMJZMZTCYFRKK-AWEZNQCLSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000524907754 388412564 /nfs/dbraw/zinc/41/25/64/388412564.db2.gz DOMJZMZTCYFRKK-CQSZACIVSA-N 1 1 209.377 3.853 20 30 BHEDMO CC#CC[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000525119413 388417107 /nfs/dbraw/zinc/41/71/07/388417107.db2.gz DCRAEBXWBOGICF-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO CC#CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000525119601 388416503 /nfs/dbraw/zinc/41/65/03/388416503.db2.gz SNWFTFRVLGEXKX-UHFFFAOYSA-N 1 1 249.357 3.828 20 30 BHEDMO CC#CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000525120409 388416717 /nfs/dbraw/zinc/41/67/17/388416717.db2.gz USABJWSAABQRKG-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000525120410 388416547 /nfs/dbraw/zinc/41/65/47/388416547.db2.gz USABJWSAABQRKG-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000525120729 388416652 /nfs/dbraw/zinc/41/66/52/388416652.db2.gz QOOIQKNPITXGJC-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000525120730 388416374 /nfs/dbraw/zinc/41/63/74/388416374.db2.gz QOOIQKNPITXGJC-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000525121647 388416451 /nfs/dbraw/zinc/41/64/51/388416451.db2.gz XTOHQRCRNJAGIH-HNNXBMFYSA-N 1 1 241.378 3.873 20 30 BHEDMO CC#CC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000525121648 388416632 /nfs/dbraw/zinc/41/66/32/388416632.db2.gz XTOHQRCRNJAGIH-OAHLLOKOSA-N 1 1 241.378 3.873 20 30 BHEDMO CC#CC[N@@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000525121898 388416859 /nfs/dbraw/zinc/41/68/59/388416859.db2.gz JTADPAQMUDCDJV-INIZCTEOSA-N 1 1 229.367 3.647 20 30 BHEDMO CC#CC[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000525121899 388417065 /nfs/dbraw/zinc/41/70/65/388417065.db2.gz JTADPAQMUDCDJV-MRXNPFEDSA-N 1 1 229.367 3.647 20 30 BHEDMO C=CCCC[N@H+](C)CCCc1cccc(OC)c1 ZINC000525124020 388417300 /nfs/dbraw/zinc/41/73/00/388417300.db2.gz IZJWYQPFGQXZFT-UHFFFAOYSA-N 1 1 247.382 3.526 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000525127632 388417908 /nfs/dbraw/zinc/41/79/08/388417908.db2.gz KLXZCQVFOAKYRM-HNNXBMFYSA-N 1 1 217.356 3.516 20 30 BHEDMO C=CCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000525127633 388418106 /nfs/dbraw/zinc/41/81/06/388418106.db2.gz KLXZCQVFOAKYRM-OAHLLOKOSA-N 1 1 217.356 3.516 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000525327909 388425544 /nfs/dbraw/zinc/42/55/44/388425544.db2.gz NTFMYZHAWNMVPE-KBPBESRZSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000525327910 388425450 /nfs/dbraw/zinc/42/54/50/388425450.db2.gz NTFMYZHAWNMVPE-KGLIPLIRSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000525327911 259701176 /nfs/dbraw/zinc/70/11/76/259701176.db2.gz NTFMYZHAWNMVPE-UONOGXRCSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000525327912 388426064 /nfs/dbraw/zinc/42/60/64/388426064.db2.gz NTFMYZHAWNMVPE-ZIAGYGMSSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000525328188 388425549 /nfs/dbraw/zinc/42/55/49/388425549.db2.gz CNPGWIQTSDVMDW-UHFFFAOYSA-N 1 1 235.346 3.656 20 30 BHEDMO C=CCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000525328316 388426031 /nfs/dbraw/zinc/42/60/31/388426031.db2.gz NIBIHXSORJSGGV-INIZCTEOSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000525328317 388425925 /nfs/dbraw/zinc/42/59/25/388425925.db2.gz NIBIHXSORJSGGV-MRXNPFEDSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000525328338 388425498 /nfs/dbraw/zinc/42/54/98/388425498.db2.gz PAXFDPXNFZBELH-INIZCTEOSA-N 1 1 229.367 3.832 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000525328339 259701096 /nfs/dbraw/zinc/70/10/96/259701096.db2.gz PAXFDPXNFZBELH-MRXNPFEDSA-N 1 1 229.367 3.832 20 30 BHEDMO C=CCC[N@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000525328351 388425454 /nfs/dbraw/zinc/42/54/54/388425454.db2.gz QPJJMRUZPBRLDV-KRWDZBQOSA-N 1 1 243.394 3.832 20 30 BHEDMO C=CCC[N@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000525328352 388425963 /nfs/dbraw/zinc/42/59/63/388425963.db2.gz QPJJMRUZPBRLDV-QGZVFWFLSA-N 1 1 243.394 3.832 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000525328416 388425837 /nfs/dbraw/zinc/42/58/37/388425837.db2.gz VPKGOVHJYPFKAH-UHFFFAOYSA-N 1 1 231.383 3.992 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000525328485 388426027 /nfs/dbraw/zinc/42/60/27/388426027.db2.gz ANLYJZBSFGUPBX-CYBMUJFWSA-N 1 1 209.377 3.711 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000525328486 259700939 /nfs/dbraw/zinc/70/09/39/259700939.db2.gz ANLYJZBSFGUPBX-ZDUSSCGKSA-N 1 1 209.377 3.711 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000525328522 388426106 /nfs/dbraw/zinc/42/61/06/388426106.db2.gz ALLAAFIPEOWMOL-INIZCTEOSA-N 1 1 229.367 3.578 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000525328523 388425841 /nfs/dbraw/zinc/42/58/41/388425841.db2.gz ALLAAFIPEOWMOL-MRXNPFEDSA-N 1 1 229.367 3.578 20 30 BHEDMO C=CCC[N@H+](CCC)CC1CCCCC1 ZINC000525328573 388426628 /nfs/dbraw/zinc/42/66/28/388426628.db2.gz GUSKKHIIRHIALD-UHFFFAOYSA-N 1 1 209.377 3.855 20 30 BHEDMO C=CCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000525328703 388427064 /nfs/dbraw/zinc/42/70/64/388427064.db2.gz MCIPXIOHJSEVKW-HNNXBMFYSA-N 1 1 247.407 3.661 20 30 BHEDMO C=CCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000525328704 388426289 /nfs/dbraw/zinc/42/62/89/388426289.db2.gz MCIPXIOHJSEVKW-OAHLLOKOSA-N 1 1 247.407 3.661 20 30 BHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000525328822 388426373 /nfs/dbraw/zinc/42/63/73/388426373.db2.gz NWOWHWYKUUXUET-AWEZNQCLSA-N 1 1 217.356 3.863 20 30 BHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000525328823 388426676 /nfs/dbraw/zinc/42/66/76/388426676.db2.gz NWOWHWYKUUXUET-CQSZACIVSA-N 1 1 217.356 3.863 20 30 BHEDMO C=CCC[N@@H+](C1CC1)C1CCC(CC)CC1 ZINC000525328824 388426953 /nfs/dbraw/zinc/42/69/53/388426953.db2.gz NXLBWSOIYCTCSW-UHFFFAOYSA-N 1 1 221.388 3.996 20 30 BHEDMO C=CCC[N@H+](CC)Cc1ccccc1Cl ZINC000525328943 388426431 /nfs/dbraw/zinc/42/64/31/388426431.db2.gz QXBJPZGJMMOWND-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000525328952 388426698 /nfs/dbraw/zinc/42/66/98/388426698.db2.gz RNSUCIJZOSONEZ-AWEZNQCLSA-N 1 1 217.356 3.872 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000525328953 388426714 /nfs/dbraw/zinc/42/67/14/388426714.db2.gz RNSUCIJZOSONEZ-CQSZACIVSA-N 1 1 217.356 3.872 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000525329024 388426866 /nfs/dbraw/zinc/42/68/66/388426866.db2.gz XWVIDFGISOVFGL-GFCCVEGCSA-N 1 1 237.774 3.779 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000525329035 259700993 /nfs/dbraw/zinc/70/09/93/259700993.db2.gz XWVIDFGISOVFGL-LBPRGKRZSA-N 1 1 237.774 3.779 20 30 BHEDMO C=CCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000525329062 388427045 /nfs/dbraw/zinc/42/70/45/388427045.db2.gz ZMGBFLXWUIBUGJ-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000525329066 388426871 /nfs/dbraw/zinc/42/68/71/388426871.db2.gz ZMGBFLXWUIBUGJ-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000525329301 388427039 /nfs/dbraw/zinc/42/70/39/388427039.db2.gz VDNBOTLFIHHTJZ-AWEZNQCLSA-N 1 1 217.356 3.872 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000525329302 388426505 /nfs/dbraw/zinc/42/65/05/388426505.db2.gz VDNBOTLFIHHTJZ-CQSZACIVSA-N 1 1 217.356 3.872 20 30 BHEDMO C=CCCC[N@H+](C)CCOC1CCCCCC1 ZINC000525411019 388428614 /nfs/dbraw/zinc/42/86/14/388428614.db2.gz NJEUOOLURZHIAO-UHFFFAOYSA-N 1 1 239.403 3.624 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCOC1CCCCCC1 ZINC000525422612 388428444 /nfs/dbraw/zinc/42/84/44/388428444.db2.gz AXEGAZSMAAZHLX-UHFFFAOYSA-N 1 1 239.403 3.624 20 30 BHEDMO CC#CC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000525632664 384425240 /nfs/dbraw/zinc/42/52/40/384425240.db2.gz AJDSHIKQWDBQCR-INIZCTEOSA-N 1 1 227.351 3.627 20 30 BHEDMO CC#CC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000525632665 384427110 /nfs/dbraw/zinc/42/71/10/384427110.db2.gz AJDSHIKQWDBQCR-MRXNPFEDSA-N 1 1 227.351 3.627 20 30 BHEDMO CC#CC[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000525633059 384450507 /nfs/dbraw/zinc/45/05/07/384450507.db2.gz FSFZTCZQFBKTHT-CYBMUJFWSA-N 1 1 241.334 3.839 20 30 BHEDMO CC#CC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000525633060 384451338 /nfs/dbraw/zinc/45/13/38/384451338.db2.gz FSFZTCZQFBKTHT-ZDUSSCGKSA-N 1 1 241.334 3.839 20 30 BHEDMO CC#CC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000525633125 384457911 /nfs/dbraw/zinc/45/79/11/384457911.db2.gz LXQXMVCTJXOELU-GFCCVEGCSA-N 1 1 247.769 3.889 20 30 BHEDMO CC#CC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000525633125 384457907 /nfs/dbraw/zinc/45/79/07/384457907.db2.gz LXQXMVCTJXOELU-GFCCVEGCSA-N 1 1 247.769 3.889 20 30 BHEDMO CC#CC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000525633126 384455300 /nfs/dbraw/zinc/45/53/00/384455300.db2.gz LXQXMVCTJXOELU-LBPRGKRZSA-N 1 1 247.769 3.889 20 30 BHEDMO CC#CC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000525633126 384455296 /nfs/dbraw/zinc/45/52/96/384455296.db2.gz LXQXMVCTJXOELU-LBPRGKRZSA-N 1 1 247.769 3.889 20 30 BHEDMO CC#CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000525633228 384461256 /nfs/dbraw/zinc/46/12/56/384461256.db2.gz VKFQMODGOFNPJV-UHFFFAOYSA-N 1 1 249.357 3.809 20 30 BHEDMO C=CCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000525635830 259353090 /nfs/dbraw/zinc/35/30/90/259353090.db2.gz RZWCVJATAQSNRF-UHFFFAOYSA-N 1 1 233.355 3.990 20 30 BHEDMO C=CCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000525636205 259352914 /nfs/dbraw/zinc/35/29/14/259352914.db2.gz KKKDIDWPTIGDJK-UHFFFAOYSA-N 1 1 207.361 3.609 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000525641203 323004475 /nfs/dbraw/zinc/00/44/75/323004475.db2.gz ZXAXYIPMTMOBON-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO CC#CC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000525641204 323004493 /nfs/dbraw/zinc/00/44/93/323004493.db2.gz ZXAXYIPMTMOBON-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C=CCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000525783844 259396101 /nfs/dbraw/zinc/39/61/01/259396101.db2.gz FWRDROAFVBYSOG-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525783845 259396447 /nfs/dbraw/zinc/39/64/47/259396447.db2.gz FWRDROAFVBYSOG-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000525783846 259396369 /nfs/dbraw/zinc/39/63/69/259396369.db2.gz FWRDROAFVBYSOG-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000525783847 259396384 /nfs/dbraw/zinc/39/63/84/259396384.db2.gz FWRDROAFVBYSOG-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)CC)cc1 ZINC000525999507 388453854 /nfs/dbraw/zinc/45/38/54/388453854.db2.gz MKTHSIHQZPFFDV-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCCOc1ccccc1 ZINC000526114299 356226167 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/nfs/dbraw/zinc/15/74/26/385157426.db2.gz BDFHUYTXVAFVLE-CYBMUJFWSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000530902056 385158278 /nfs/dbraw/zinc/15/82/78/385158278.db2.gz BDFHUYTXVAFVLE-ZDUSSCGKSA-N 1 1 215.340 3.572 20 30 BHEDMO CCC(CC)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000531105479 384961145 /nfs/dbraw/zinc/96/11/45/384961145.db2.gz DPNICLBHBXECIT-UHFFFAOYSA-N 1 1 236.403 3.969 20 30 BHEDMO CCC(CC)C[N@H+](CC=C(C)C)CCC#N ZINC000531143693 323072005 /nfs/dbraw/zinc/07/20/05/323072005.db2.gz TWACLODUAVJYSZ-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000531343388 323087643 /nfs/dbraw/zinc/08/76/43/323087643.db2.gz IXLBCDADVKCERA-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000531343394 323087602 /nfs/dbraw/zinc/08/76/02/323087602.db2.gz IXLBCDADVKCERA-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000531343395 323087600 /nfs/dbraw/zinc/08/76/00/323087600.db2.gz IXLBCDADVKCERA-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000531343396 323087653 /nfs/dbraw/zinc/08/76/53/323087653.db2.gz IXLBCDADVKCERA-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000531343485 323087637 /nfs/dbraw/zinc/08/76/37/323087637.db2.gz WIPCGONCLQSAQU-UHFFFAOYSA-N 1 1 229.323 3.831 20 30 BHEDMO C=CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000531452773 323091303 /nfs/dbraw/zinc/09/13/03/323091303.db2.gz LDOPUBJSBOBZCW-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000531452775 323091312 /nfs/dbraw/zinc/09/13/12/323091312.db2.gz LDOPUBJSBOBZCW-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO CCC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000531815961 323114352 /nfs/dbraw/zinc/11/43/52/323114352.db2.gz XYKSCVIUYGCMJG-AWEZNQCLSA-N 1 1 242.366 3.570 20 30 BHEDMO CCC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000531815962 323114400 /nfs/dbraw/zinc/11/44/00/323114400.db2.gz XYKSCVIUYGCMJG-CQSZACIVSA-N 1 1 242.366 3.570 20 30 BHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000531816288 323114424 /nfs/dbraw/zinc/11/44/24/323114424.db2.gz FQGSNPSIHZSYIM-HNNXBMFYSA-N 1 1 242.366 3.570 20 30 BHEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000531816289 323114378 /nfs/dbraw/zinc/11/43/78/323114378.db2.gz FQGSNPSIHZSYIM-OAHLLOKOSA-N 1 1 242.366 3.570 20 30 BHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000532326660 323250069 /nfs/dbraw/zinc/25/00/69/323250069.db2.gz CWSCLBORCDOKGS-AWEZNQCLSA-N 1 1 242.366 3.570 20 30 BHEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000532326661 323250031 /nfs/dbraw/zinc/25/00/31/323250031.db2.gz CWSCLBORCDOKGS-CQSZACIVSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)C ZINC000532606039 323279438 /nfs/dbraw/zinc/27/94/38/323279438.db2.gz ZPFOCUKIJVNJPI-UHFFFAOYSA-N 1 1 249.785 3.669 20 30 BHEDMO CC[C@@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000532615718 323280049 /nfs/dbraw/zinc/28/00/49/323280049.db2.gz DSLRQLOAZNKHIW-CYBMUJFWSA-N 1 1 249.785 3.669 20 30 BHEDMO CC[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000532615719 323280206 /nfs/dbraw/zinc/28/02/06/323280206.db2.gz DSLRQLOAZNKHIW-ZDUSSCGKSA-N 1 1 249.785 3.669 20 30 BHEDMO C=CC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000532653085 323286796 /nfs/dbraw/zinc/28/67/96/323286796.db2.gz KYRKBRSRVROVDB-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000532977976 387914749 /nfs/dbraw/zinc/91/47/49/387914749.db2.gz AJLLTBRLDPHATR-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000532977988 387915969 /nfs/dbraw/zinc/91/59/69/387915969.db2.gz AJLLTBRLDPHATR-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO CCC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533001726 387920787 /nfs/dbraw/zinc/92/07/87/387920787.db2.gz LOAJDMFJBLWPSE-CYBMUJFWSA-N 1 1 249.785 3.812 20 30 BHEDMO CCC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533001743 387919993 /nfs/dbraw/zinc/91/99/93/387919993.db2.gz LOAJDMFJBLWPSE-ZDUSSCGKSA-N 1 1 249.785 3.812 20 30 BHEDMO CC#CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000533070548 359702920 /nfs/dbraw/zinc/70/29/20/359702920.db2.gz XSFLVEDCDRUIMP-UHFFFAOYSA-N 1 1 247.341 3.712 20 30 BHEDMO C[C@@H]([N@@H+](C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249657 388724873 /nfs/dbraw/zinc/72/48/73/388724873.db2.gz LBZGPIURAKHXFR-LLVKDONJSA-N 1 1 248.345 3.564 20 30 BHEDMO C[C@H]([N@@H+](C)Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000533249658 388724842 /nfs/dbraw/zinc/72/48/42/388724842.db2.gz LBZGPIURAKHXFR-NSHDSACASA-N 1 1 248.345 3.564 20 30 BHEDMO Cc1cc(C)c([C@H](C)[N@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000533267167 388044424 /nfs/dbraw/zinc/04/44/24/388044424.db2.gz BRBANPRTMLUYTA-DOMZBBRYSA-N 1 1 244.382 3.764 20 30 BHEDMO Cc1cc(C)c([C@@H](C)[N@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000533267168 388044368 /nfs/dbraw/zinc/04/43/68/388044368.db2.gz BRBANPRTMLUYTA-IUODEOHRSA-N 1 1 244.382 3.764 20 30 BHEDMO Cc1cc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000533267169 388044677 /nfs/dbraw/zinc/04/46/77/388044677.db2.gz BRBANPRTMLUYTA-SWLSCSKDSA-N 1 1 244.382 3.764 20 30 BHEDMO Cc1cc(C)c([C@H](C)[N@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000533267170 388045084 /nfs/dbraw/zinc/04/50/84/388045084.db2.gz BRBANPRTMLUYTA-WFASDCNBSA-N 1 1 244.382 3.764 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000533299408 388046552 /nfs/dbraw/zinc/04/65/52/388046552.db2.gz KQUQXYFDUXOSKJ-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000533299409 388046422 /nfs/dbraw/zinc/04/64/22/388046422.db2.gz KQUQXYFDUXOSKJ-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000533322820 359792143 /nfs/dbraw/zinc/79/21/43/359792143.db2.gz KTLHGJCPQMRHFH-AWEZNQCLSA-N 1 1 247.357 3.544 20 30 BHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000533322821 359792091 /nfs/dbraw/zinc/79/20/91/359792091.db2.gz KTLHGJCPQMRHFH-CQSZACIVSA-N 1 1 247.357 3.544 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000533437324 384319407 /nfs/dbraw/zinc/31/94/07/384319407.db2.gz GWUQGVPXPCKMBY-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000533437325 384320388 /nfs/dbraw/zinc/32/03/88/384320388.db2.gz GWUQGVPXPCKMBY-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO CC(C)C[N@@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000533460362 384341468 /nfs/dbraw/zinc/34/14/68/384341468.db2.gz CDZQFHJDAXDFRC-UHFFFAOYSA-N 1 1 247.357 3.544 20 30 BHEDMO C[C@@H]([N@@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461329 342860845 /nfs/dbraw/zinc/86/08/45/342860845.db2.gz IIJXSKMFELEXSK-CYBMUJFWSA-N 1 1 247.357 3.544 20 30 BHEDMO C[C@H]([N@@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000533461330 342860728 /nfs/dbraw/zinc/86/07/28/342860728.db2.gz IIJXSKMFELEXSK-ZDUSSCGKSA-N 1 1 247.357 3.544 20 30 BHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(C)C ZINC000533462074 342861036 /nfs/dbraw/zinc/86/10/36/342861036.db2.gz PUBUPLFZVKUXAD-UHFFFAOYSA-N 1 1 247.357 3.545 20 30 BHEDMO CCc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000534216281 323114706 /nfs/dbraw/zinc/11/47/06/323114706.db2.gz MBWRJMURYZWOJS-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO CC(C)(C#N)CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000534219332 323114631 /nfs/dbraw/zinc/11/46/31/323114631.db2.gz FSWNKXMDJMQQIR-UHFFFAOYSA-N 1 1 248.414 3.971 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(C)C)cc1 ZINC000534327199 323116957 /nfs/dbraw/zinc/11/69/57/323116957.db2.gz GZEDCVBIPZPTBX-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO CC(C)[N@@H+](CCC#N)Cc1cc2ccccc2o1 ZINC000534341815 323118117 /nfs/dbraw/zinc/11/81/17/323118117.db2.gz ZMBHDBOXOYNGEJ-UHFFFAOYSA-N 1 1 242.322 3.557 20 30 BHEDMO CC(C)[N@H+](CCC#N)Cc1cc2ccccc2o1 ZINC000534341815 323118116 /nfs/dbraw/zinc/11/81/16/323118116.db2.gz ZMBHDBOXOYNGEJ-UHFFFAOYSA-N 1 1 242.322 3.557 20 30 BHEDMO C=CCCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000534692094 323160094 /nfs/dbraw/zinc/16/00/94/323160094.db2.gz OTOGBQKLNVFTTF-UHFFFAOYSA-N 1 1 207.361 3.631 20 30 BHEDMO 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CC(C)[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000536639846 323199337 /nfs/dbraw/zinc/19/93/37/323199337.db2.gz SODZTLVFXRIIGG-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC(CC)[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000536650204 323199547 /nfs/dbraw/zinc/19/95/47/323199547.db2.gz QHYKLFCMPPVHMB-UHFFFAOYSA-N 1 1 248.395 3.773 20 30 BHEDMO C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C(C)(C)C ZINC000536655623 323199913 /nfs/dbraw/zinc/19/99/13/323199913.db2.gz MLIGUSPFOBAIBQ-GFCCVEGCSA-N 1 1 224.392 3.683 20 30 BHEDMO C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C(C)(C)C ZINC000536655624 323200064 /nfs/dbraw/zinc/20/00/64/323200064.db2.gz MLIGUSPFOBAIBQ-LBPRGKRZSA-N 1 1 224.392 3.683 20 30 BHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000536660293 323199750 /nfs/dbraw/zinc/19/97/50/323199750.db2.gz DNFUAMSOAOILHH-DOMZBBRYSA-N 1 1 246.354 3.552 20 30 BHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000536660294 323199817 /nfs/dbraw/zinc/19/98/17/323199817.db2.gz DNFUAMSOAOILHH-IUODEOHRSA-N 1 1 246.354 3.552 20 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C=CCCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000536679716 323200698 /nfs/dbraw/zinc/20/06/98/323200698.db2.gz KBHQNEMMNVDCQJ-CVEARBPZSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCCC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000536679717 323200667 /nfs/dbraw/zinc/20/06/67/323200667.db2.gz KBHQNEMMNVDCQJ-HZPDHXFCSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000536679718 323200760 /nfs/dbraw/zinc/20/07/60/323200760.db2.gz KBHQNEMMNVDCQJ-JKSUJKDBSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000536680044 323200864 /nfs/dbraw/zinc/20/08/64/323200864.db2.gz YMJTYWKBFANKPF-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(SC)cc1 ZINC000536680728 323200939 /nfs/dbraw/zinc/20/09/39/323200939.db2.gz BGLXULIQHCWAOT-UHFFFAOYSA-N 1 1 235.396 3.807 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(OCC=C)cc1 ZINC000536681623 323200777 /nfs/dbraw/zinc/20/07/77/323200777.db2.gz NLMPBMFLKZQLGX-UHFFFAOYSA-N 1 1 245.366 3.649 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(C)ccc1F ZINC000536681705 323200910 /nfs/dbraw/zinc/20/09/10/323200910.db2.gz SDNRRBWKXLWKLB-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C[C@H](C#N)C[N@@H+](CC1CCC(C)(C)CC1)C1CC1 ZINC000536710327 323201686 /nfs/dbraw/zinc/20/16/86/323201686.db2.gz QSBUQEISWATMQU-CYBMUJFWSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](CC1CCC(C)(C)CC1)C1CC1 ZINC000536710336 323201667 /nfs/dbraw/zinc/20/16/67/323201667.db2.gz QSBUQEISWATMQU-ZDUSSCGKSA-N 1 1 248.414 3.827 20 30 BHEDMO C=CC[N@H+](Cc1cccc(OC(C)C)c1)C1CC1 ZINC000536742733 323202775 /nfs/dbraw/zinc/20/27/75/323202775.db2.gz XUMMZPLCPRLNNX-UHFFFAOYSA-N 1 1 245.366 3.624 20 30 BHEDMO C=CC[N@H+](CCCc1ccccc1C)C1CC1 ZINC000536744125 323202839 /nfs/dbraw/zinc/20/28/39/323202839.db2.gz MKJHXOPQZULUPK-UHFFFAOYSA-N 1 1 229.367 3.578 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000536880337 388054359 /nfs/dbraw/zinc/05/43/59/388054359.db2.gz BKALLNOVNYNVOU-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000536880369 388054082 /nfs/dbraw/zinc/05/40/82/388054082.db2.gz BKALLNOVNYNVOU-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000536881196 388070108 /nfs/dbraw/zinc/07/01/08/388070108.db2.gz IXXCETYWCYEMCA-CYBMUJFWSA-N 1 1 203.329 3.646 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000536881205 388070776 /nfs/dbraw/zinc/07/07/76/388070776.db2.gz IXXCETYWCYEMCA-ZDUSSCGKSA-N 1 1 203.329 3.646 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000536882039 388070397 /nfs/dbraw/zinc/07/03/97/388070397.db2.gz QOTPGIQZLMPIHZ-HNNXBMFYSA-N 1 1 215.340 3.790 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000536882053 388069413 /nfs/dbraw/zinc/06/94/13/388069413.db2.gz QOTPGIQZLMPIHZ-OAHLLOKOSA-N 1 1 215.340 3.790 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000536882835 388072338 /nfs/dbraw/zinc/07/23/38/388072338.db2.gz XJZJRHCGFXWOOK-CYBMUJFWSA-N 1 1 233.355 3.654 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000536882840 388071904 /nfs/dbraw/zinc/07/19/04/388071904.db2.gz XJZJRHCGFXWOOK-ZDUSSCGKSA-N 1 1 233.355 3.654 20 30 BHEDMO C=CC[N@H+](CC(=C)CC)Cc1ccccc1 ZINC000536882960 388072379 /nfs/dbraw/zinc/07/23/79/388072379.db2.gz YYPSCJJTHVRDFK-UHFFFAOYSA-N 1 1 215.340 3.641 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1cccs1)C(C)C ZINC000536888959 388081765 /nfs/dbraw/zinc/08/17/65/388081765.db2.gz FAMKODBNJRNXFJ-UHFFFAOYSA-N 1 1 223.385 3.925 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000536891771 388081381 /nfs/dbraw/zinc/08/13/81/388081381.db2.gz UFAMFDNQRRPAQS-UHFFFAOYSA-N 1 1 215.340 3.617 20 30 BHEDMO C=C(CC)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000536891843 388081426 /nfs/dbraw/zinc/08/14/26/388081426.db2.gz YKLLRBDHONDJRO-HNNXBMFYSA-N 1 1 247.407 3.743 20 30 BHEDMO C=C(CC)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000536891844 388081662 /nfs/dbraw/zinc/08/16/62/388081662.db2.gz YKLLRBDHONDJRO-OAHLLOKOSA-N 1 1 247.407 3.743 20 30 BHEDMO C=C(CC)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000536894422 388080044 /nfs/dbraw/zinc/08/00/44/388080044.db2.gz VCJIBFFXDAHJDU-HZSPNIEDSA-N 1 1 207.361 3.606 20 30 BHEDMO C=C(CC)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000536894428 388080134 /nfs/dbraw/zinc/08/01/34/388080134.db2.gz VCJIBFFXDAHJDU-MCIONIFRSA-N 1 1 207.361 3.606 20 30 BHEDMO C=C(CC)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000536894429 388080639 /nfs/dbraw/zinc/08/06/39/388080639.db2.gz VCJIBFFXDAHJDU-MGPQQGTHSA-N 1 1 207.361 3.606 20 30 BHEDMO C=C(CC)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000536894431 388080330 /nfs/dbraw/zinc/08/03/30/388080330.db2.gz VCJIBFFXDAHJDU-RDBSUJKOSA-N 1 1 207.361 3.606 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000536904468 388082466 /nfs/dbraw/zinc/08/24/66/388082466.db2.gz LFOOGNDBHSUNQU-UHFFFAOYSA-N 1 1 233.355 3.990 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000536905686 388081973 /nfs/dbraw/zinc/08/19/73/388081973.db2.gz VCWJPKYBASIJOG-GFCCVEGCSA-N 1 1 221.319 3.785 20 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C=CCCC[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000537017579 387152389 /nfs/dbraw/zinc/15/23/89/387152389.db2.gz DXUSEYZZTYHCLK-GFCCVEGCSA-N 1 1 235.396 3.851 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000537017580 387152254 /nfs/dbraw/zinc/15/22/54/387152254.db2.gz DXUSEYZZTYHCLK-LBPRGKRZSA-N 1 1 235.396 3.851 20 30 BHEDMO CCC[C@@H](C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000537197921 324034240 /nfs/dbraw/zinc/03/42/40/324034240.db2.gz MJOXLTBDELRTGJ-CYBMUJFWSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC[C@H](C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000537197922 324034188 /nfs/dbraw/zinc/03/41/88/324034188.db2.gz MJOXLTBDELRTGJ-ZDUSSCGKSA-N 1 1 224.392 3.684 20 30 BHEDMO C[N@@H+](CC1(C#N)CC1)C1CCC(C(C)(C)C)CC1 ZINC000537211034 324033818 /nfs/dbraw/zinc/03/38/18/324033818.db2.gz HZBZJILRDSLMCS-UHFFFAOYSA-N 1 1 248.414 3.827 20 30 BHEDMO CCC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000537219968 324056420 /nfs/dbraw/zinc/05/64/20/324056420.db2.gz LQMLSKQQUZRPRK-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO CCC[N@@H+](Cc1ccc(C)cc1)CC1(C#N)CC1 ZINC000537258779 324063814 /nfs/dbraw/zinc/06/38/14/324063814.db2.gz IVGZIAOOFCQYES-UHFFFAOYSA-N 1 1 242.366 3.511 20 30 BHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537362184 324067371 /nfs/dbraw/zinc/06/73/71/324067371.db2.gz CVCAKPQLRKMFLQ-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537362188 324067979 /nfs/dbraw/zinc/06/79/79/324067979.db2.gz CVCAKPQLRKMFLQ-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000537363452 324067788 /nfs/dbraw/zinc/06/77/88/324067788.db2.gz JPEXVZKAHWGEGL-UHFFFAOYSA-N 1 1 236.403 3.969 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000537364535 324067392 /nfs/dbraw/zinc/06/73/92/324067392.db2.gz WMIQGLDNGCOZBI-ILXRZTDVSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000537364543 324067529 /nfs/dbraw/zinc/06/75/29/324067529.db2.gz WMIQGLDNGCOZBI-KFWWJZLASA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 ZINC000537364546 324067319 /nfs/dbraw/zinc/06/73/19/324067319.db2.gz WMIQGLDNGCOZBI-QLFBSQMISA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000537364547 324067714 /nfs/dbraw/zinc/06/77/14/324067714.db2.gz WMIQGLDNGCOZBI-RBSFLKMASA-N 1 1 248.414 3.827 20 30 BHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365110 324067827 /nfs/dbraw/zinc/06/78/27/324067827.db2.gz CXNWQGZJTDPXNM-CHWSQXEVSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365111 324067627 /nfs/dbraw/zinc/06/76/27/324067627.db2.gz CXNWQGZJTDPXNM-OLZOCXBDSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365112 324067380 /nfs/dbraw/zinc/06/73/80/324067380.db2.gz CXNWQGZJTDPXNM-QWHCGFSZSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000537365113 324067968 /nfs/dbraw/zinc/06/79/68/324067968.db2.gz CXNWQGZJTDPXNM-STQMWFEESA-N 1 1 236.403 3.825 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000537366354 324067661 /nfs/dbraw/zinc/06/76/61/324067661.db2.gz OTPCCZVPVCIPMV-HNNXBMFYSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000537366355 324067607 /nfs/dbraw/zinc/06/76/07/324067607.db2.gz OTPCCZVPVCIPMV-OAHLLOKOSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000537368682 324067564 /nfs/dbraw/zinc/06/75/64/324067564.db2.gz MXPJDEIMMMQOOM-AWEZNQCLSA-N 1 1 236.403 3.684 20 30 BHEDMO CC(C)C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000537368687 324067581 /nfs/dbraw/zinc/06/75/81/324067581.db2.gz MXPJDEIMMMQOOM-CQSZACIVSA-N 1 1 236.403 3.684 20 30 BHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537386509 324069568 /nfs/dbraw/zinc/06/95/68/324069568.db2.gz VXPIOGQWSAARFL-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537386510 324069453 /nfs/dbraw/zinc/06/94/53/324069453.db2.gz VXPIOGQWSAARFL-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537386511 324069365 /nfs/dbraw/zinc/06/93/65/324069365.db2.gz VXPIOGQWSAARFL-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000537386513 324069852 /nfs/dbraw/zinc/06/98/52/324069852.db2.gz VXPIOGQWSAARFL-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537529038 324077592 /nfs/dbraw/zinc/07/75/92/324077592.db2.gz SUQUTNIXMXICQE-UHFFFAOYSA-N 1 1 243.272 3.502 20 30 BHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000537631630 324089824 /nfs/dbraw/zinc/08/98/24/324089824.db2.gz XGBLTNJXKWLPTM-UHFFFAOYSA-N 1 1 248.395 3.632 20 30 BHEDMO C=CCCC[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000537633896 324091377 /nfs/dbraw/zinc/09/13/77/324091377.db2.gz QEEBUGOKOWNVLX-SREVYHEPSA-N 1 1 233.330 3.737 20 30 BHEDMO C=CCCC[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000537633897 324091182 /nfs/dbraw/zinc/09/11/82/324091182.db2.gz QEEBUGOKOWNVLX-VOTSOKGWSA-N 1 1 233.330 3.737 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000537634677 324091722 /nfs/dbraw/zinc/09/17/22/324091722.db2.gz QKGCOLIOOISBBM-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccccc1OCC=C ZINC000537635248 324091483 /nfs/dbraw/zinc/09/14/83/324091483.db2.gz HSPWECOKINTYPP-UHFFFAOYSA-N 1 1 245.366 3.649 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000537635395 324091748 /nfs/dbraw/zinc/09/17/48/324091748.db2.gz QRSFSQDIYCVLID-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CC[N@@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000537852991 324108859 /nfs/dbraw/zinc/10/88/59/324108859.db2.gz CANVQDAIHDJMQP-UHFFFAOYSA-N 1 1 227.351 3.524 20 30 BHEDMO C=CC[N@H+](Cc1ccc(F)cc1Cl)C1CC1 ZINC000537855470 324108817 /nfs/dbraw/zinc/10/88/17/324108817.db2.gz ZXNNFRKKCCXTKL-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(F)cc1Cl)C1CC1 ZINC000537855470 324108815 /nfs/dbraw/zinc/10/88/15/324108815.db2.gz ZXNNFRKKCCXTKL-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000537992769 388674107 /nfs/dbraw/zinc/67/41/07/388674107.db2.gz BSSCJTXBNJZNBS-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000537992779 388674235 /nfs/dbraw/zinc/67/42/35/388674235.db2.gz BSSCJTXBNJZNBS-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000537992848 388674780 /nfs/dbraw/zinc/67/47/80/388674780.db2.gz DZOLNEWYLUMXGR-HNNXBMFYSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000537992852 388674636 /nfs/dbraw/zinc/67/46/36/388674636.db2.gz DZOLNEWYLUMXGR-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000537993001 388674395 /nfs/dbraw/zinc/67/43/95/388674395.db2.gz HDOISQQGXMYNBN-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000537993002 388674479 /nfs/dbraw/zinc/67/44/79/388674479.db2.gz HDOISQQGXMYNBN-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000537993008 388674325 /nfs/dbraw/zinc/67/43/25/388674325.db2.gz FJSSRAKNCHYFTJ-GFCCVEGCSA-N 1 1 221.369 3.851 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000537993019 388674751 /nfs/dbraw/zinc/67/47/51/388674751.db2.gz FJSSRAKNCHYFTJ-LBPRGKRZSA-N 1 1 221.369 3.851 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000537993294 388674671 /nfs/dbraw/zinc/67/46/71/388674671.db2.gz QWVVNHUYAGNNEY-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000537993724 388674417 /nfs/dbraw/zinc/67/44/17/388674417.db2.gz RHTARNAVRGTXSN-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000537993727 388674617 /nfs/dbraw/zinc/67/46/17/388674617.db2.gz RHTARNAVRGTXSN-MRXNPFEDSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1ccccc1Cl ZINC000537993938 388674297 /nfs/dbraw/zinc/67/42/97/388674297.db2.gz TUJXAVCZAFAJMG-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000538001307 388675813 /nfs/dbraw/zinc/67/58/13/388675813.db2.gz VVOVXLHOXDCSEZ-HNNXBMFYSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000538001309 388675445 /nfs/dbraw/zinc/67/54/45/388675445.db2.gz VVOVXLHOXDCSEZ-OAHLLOKOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000538001534 388675372 /nfs/dbraw/zinc/67/53/72/388675372.db2.gz BLPUSGKIKIHIAG-UHFFFAOYSA-N 1 1 242.366 3.735 20 30 BHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000538001724 388675463 /nfs/dbraw/zinc/67/54/63/388675463.db2.gz FNPXCQGWOBWNFV-HNNXBMFYSA-N 1 1 232.371 3.518 20 30 BHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000538001737 388676010 /nfs/dbraw/zinc/67/60/10/388676010.db2.gz FNPXCQGWOBWNFV-OAHLLOKOSA-N 1 1 232.371 3.518 20 30 BHEDMO C=C(CC)C[N@H+](CC)Cc1c(F)cccc1F ZINC000538001853 388675439 /nfs/dbraw/zinc/67/54/39/388675439.db2.gz GXRMPHSVQAZUNM-UHFFFAOYSA-N 1 1 239.309 3.753 20 30 BHEDMO C=C(CC)C[N@@H+](CC)Cc1c(F)cccc1F ZINC000538001853 388675437 /nfs/dbraw/zinc/67/54/37/388675437.db2.gz GXRMPHSVQAZUNM-UHFFFAOYSA-N 1 1 239.309 3.753 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000538002047 388675685 /nfs/dbraw/zinc/67/56/85/388675685.db2.gz IHZIMZCEHQLURW-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000538002047 388675683 /nfs/dbraw/zinc/67/56/83/388675683.db2.gz IHZIMZCEHQLURW-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000538002048 388675410 /nfs/dbraw/zinc/67/54/10/388675410.db2.gz IHZIMZCEHQLURW-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000538002048 388675407 /nfs/dbraw/zinc/67/54/07/388675407.db2.gz IHZIMZCEHQLURW-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000538002538 384281366 /nfs/dbraw/zinc/28/13/66/384281366.db2.gz OIXNDPMQCWNMRS-DZGCQCFKSA-N 1 1 215.340 3.646 20 30 BHEDMO C=C(CC)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000538002541 384280211 /nfs/dbraw/zinc/28/02/11/384280211.db2.gz OIXNDPMQCWNMRS-HIFRSBDPSA-N 1 1 215.340 3.646 20 30 BHEDMO C=C(CC)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000538002543 384280969 /nfs/dbraw/zinc/28/09/69/384280969.db2.gz OIXNDPMQCWNMRS-UKRRQHHQSA-N 1 1 215.340 3.646 20 30 BHEDMO C=C(CC)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000538002548 384280498 /nfs/dbraw/zinc/28/04/98/384280498.db2.gz OIXNDPMQCWNMRS-ZFWWWQNUSA-N 1 1 215.340 3.646 20 30 BHEDMO C=C(CC)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000538002716 388675803 /nfs/dbraw/zinc/67/58/03/388675803.db2.gz QVKZEFKNZRGGJM-AWEZNQCLSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(CC)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000538002721 388675845 /nfs/dbraw/zinc/67/58/45/388675845.db2.gz QVKZEFKNZRGGJM-CQSZACIVSA-N 1 1 242.366 3.907 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000538002733 388675862 /nfs/dbraw/zinc/67/58/62/388675862.db2.gz QTCDOCHIGYLPPK-GFCCVEGCSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000538002737 388674582 /nfs/dbraw/zinc/67/45/82/388674582.db2.gz QTCDOCHIGYLPPK-LBPRGKRZSA-N 1 1 233.330 3.711 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000538002779 388675689 /nfs/dbraw/zinc/67/56/89/388675689.db2.gz QNEXIUWKMLOKLM-UHFFFAOYSA-N 1 1 235.758 3.664 20 30 BHEDMO C=C(CC)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000538002792 388675365 /nfs/dbraw/zinc/67/53/65/388675365.db2.gz SIRXQIVVENJUED-CYBMUJFWSA-N 1 1 233.355 3.741 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000538002794 388675669 /nfs/dbraw/zinc/67/56/69/388675669.db2.gz OZKRZOZSUGTLRR-INIZCTEOSA-N 1 1 229.367 3.517 20 30 BHEDMO C=C(CC)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000538002796 388675631 /nfs/dbraw/zinc/67/56/31/388675631.db2.gz SIRXQIVVENJUED-ZDUSSCGKSA-N 1 1 233.355 3.741 20 30 BHEDMO C=C(CC)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000538002802 388675335 /nfs/dbraw/zinc/67/53/35/388675335.db2.gz OZKRZOZSUGTLRR-MRXNPFEDSA-N 1 1 229.367 3.517 20 30 BHEDMO C=C(CC)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000538003201 388676031 /nfs/dbraw/zinc/67/60/31/388676031.db2.gz WWJSMHRDNKEKIH-UHFFFAOYSA-N 1 1 245.366 3.570 20 30 BHEDMO C=C(CC)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000538003264 388675423 /nfs/dbraw/zinc/67/54/23/388675423.db2.gz XAQUBJGSJCAMTJ-AWEZNQCLSA-N 1 1 217.356 3.688 20 30 BHEDMO C=C(CC)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000538003267 388675655 /nfs/dbraw/zinc/67/56/55/388675655.db2.gz XAQUBJGSJCAMTJ-CQSZACIVSA-N 1 1 217.356 3.688 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000538003440 388675715 /nfs/dbraw/zinc/67/57/15/388675715.db2.gz WGPJPEBCDSQYQX-CYBMUJFWSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000538003445 388675934 /nfs/dbraw/zinc/67/59/34/388675934.db2.gz WGPJPEBCDSQYQX-ZDUSSCGKSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000538003535 388675882 /nfs/dbraw/zinc/67/58/82/388675882.db2.gz ZCHKOGNCIAMRIF-HNNXBMFYSA-N 1 1 247.382 3.662 20 30 BHEDMO C=C(CC)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000538003536 388675586 /nfs/dbraw/zinc/67/55/86/388675586.db2.gz ZCHKOGNCIAMRIF-OAHLLOKOSA-N 1 1 247.382 3.662 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000538046070 388676992 /nfs/dbraw/zinc/67/69/92/388676992.db2.gz VYBGNYYSDQDWKY-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000538095533 388677955 /nfs/dbraw/zinc/67/79/55/388677955.db2.gz VYELEKIWFPEFRM-AWEZNQCLSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000538095594 388678013 /nfs/dbraw/zinc/67/80/13/388678013.db2.gz VYELEKIWFPEFRM-CQSZACIVSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000538095726 388677979 /nfs/dbraw/zinc/67/79/79/388677979.db2.gz WFCZTYQRBMHDLV-AWEZNQCLSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000538095727 388677902 /nfs/dbraw/zinc/67/79/02/388677902.db2.gz WFCZTYQRBMHDLV-CQSZACIVSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000538096056 388678092 /nfs/dbraw/zinc/67/80/92/388678092.db2.gz RLBGKTPTSOOZSJ-RWMBFGLXSA-N 1 1 227.417 3.557 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000538096057 388678042 /nfs/dbraw/zinc/67/80/42/388678042.db2.gz RLBGKTPTSOOZSJ-UPJWGTAASA-N 1 1 227.417 3.557 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000538131402 388677752 /nfs/dbraw/zinc/67/77/52/388677752.db2.gz HSSBHVJDXYDDGU-LLVKDONJSA-N 1 1 247.304 3.926 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000538131404 388678062 /nfs/dbraw/zinc/67/80/62/388678062.db2.gz HSSBHVJDXYDDGU-NSHDSACASA-N 1 1 247.304 3.926 20 30 BHEDMO CCCC1CCC(C[N@@H+](C)C[C@@H](C)C#N)CC1 ZINC000538306641 388683506 /nfs/dbraw/zinc/68/35/06/388683506.db2.gz ZXDNJEYSSORYOJ-NFOMZHRRSA-N 1 1 236.403 3.684 20 30 BHEDMO CCCC1CCC(C[N@@H+](C)C[C@H](C)C#N)CC1 ZINC000538306642 388683772 /nfs/dbraw/zinc/68/37/72/388683772.db2.gz ZXDNJEYSSORYOJ-WLYUNCDWSA-N 1 1 236.403 3.684 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@H](C)c1ccc(OC)cc1 ZINC000538308555 388684240 /nfs/dbraw/zinc/68/42/40/388684240.db2.gz XIPAOMVXBIADII-AWEZNQCLSA-N 1 1 247.382 3.697 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)c1ccc(OC)cc1 ZINC000538308556 388684354 /nfs/dbraw/zinc/68/43/54/388684354.db2.gz XIPAOMVXBIADII-CQSZACIVSA-N 1 1 247.382 3.697 20 30 BHEDMO CCCCC[N@@H+](CC1(C#N)CC1)[C@@H](C)CCC ZINC000538350187 388685358 /nfs/dbraw/zinc/68/53/58/388685358.db2.gz DUQJLKOFYYQXIN-AWEZNQCLSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCC[N@@H+](CC1(C#N)CC1)[C@H](C)CCC ZINC000538350191 388684698 /nfs/dbraw/zinc/68/46/98/388684698.db2.gz DUQJLKOFYYQXIN-CQSZACIVSA-N 1 1 236.403 3.971 20 30 BHEDMO CC(C)C[N@@H+](CCC(C)(C)C#N)CC(C)(C)C ZINC000538466942 388690926 /nfs/dbraw/zinc/69/09/26/388690926.db2.gz UFNAQSGNNUOKEN-UHFFFAOYSA-N 1 1 238.419 3.930 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC12CCCCC2 ZINC000538469327 388690572 /nfs/dbraw/zinc/69/05/72/388690572.db2.gz OILYHQNCUTYKHR-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO CCC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000538488523 388696874 /nfs/dbraw/zinc/69/68/74/388696874.db2.gz JKJURCGWTFDVHN-HNNXBMFYSA-N 1 1 236.403 3.828 20 30 BHEDMO CCC[C@]1(C)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000538488524 388697101 /nfs/dbraw/zinc/69/71/01/388697101.db2.gz JKJURCGWTFDVHN-OAHLLOKOSA-N 1 1 236.403 3.828 20 30 BHEDMO C[C@H](C#N)C[N@@H+](CC1CCCCCC1)C1CC1 ZINC000538721292 388711704 /nfs/dbraw/zinc/71/17/04/388711704.db2.gz ADGWWOOZVJZBIN-CYBMUJFWSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](CC1CCCCCC1)C1CC1 ZINC000538721293 388711478 /nfs/dbraw/zinc/71/14/78/388711478.db2.gz ADGWWOOZVJZBIN-ZDUSSCGKSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725247 388712543 /nfs/dbraw/zinc/71/25/43/388712543.db2.gz IPUIKQGQFCQFFH-KGLIPLIRSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725248 388712609 /nfs/dbraw/zinc/71/26/09/388712609.db2.gz IPUIKQGQFCQFFH-UONOGXRCSA-N 1 1 248.414 3.827 20 30 BHEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000538725249 388712409 /nfs/dbraw/zinc/71/24/09/388712409.db2.gz IPUIKQGQFCQFFH-ZIAGYGMSSA-N 1 1 248.414 3.827 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1occc1C ZINC000538727936 388713674 /nfs/dbraw/zinc/71/36/74/388713674.db2.gz JCDWDBSTKBDKEX-UHFFFAOYSA-N 1 1 221.344 3.766 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000538735954 388715071 /nfs/dbraw/zinc/71/50/71/388715071.db2.gz PVTWTSWGQMXDCE-GXTWGEPZSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000538735955 388715148 /nfs/dbraw/zinc/71/51/48/388715148.db2.gz PVTWTSWGQMXDCE-JSGCOSHPSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000538735956 388715062 /nfs/dbraw/zinc/71/50/62/388715062.db2.gz PVTWTSWGQMXDCE-OCCSQVGLSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000538735957 384134662 /nfs/dbraw/zinc/13/46/62/384134662.db2.gz PVTWTSWGQMXDCE-TZMCWYRMSA-N 1 1 233.355 3.801 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(CC)s1 ZINC000538737445 388716312 /nfs/dbraw/zinc/71/63/12/388716312.db2.gz FEUXEYMTMMQYLT-UHFFFAOYSA-N 1 1 223.385 3.709 20 30 BHEDMO C=C(C)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000538945953 388742742 /nfs/dbraw/zinc/74/27/42/388742742.db2.gz QEEMUTDCSMEXBW-UHFFFAOYSA-N 1 1 227.351 3.660 20 30 BHEDMO C=CC[N@H+](CCc1ccccc1Cl)C1CC1 ZINC000538957290 388742549 /nfs/dbraw/zinc/74/25/49/388742549.db2.gz UXTFDWXYBCKVTN-UHFFFAOYSA-N 1 1 235.758 3.533 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000539094684 384215923 /nfs/dbraw/zinc/21/59/23/384215923.db2.gz AFUYOFRMLYVQET-LLVKDONJSA-N 1 1 209.358 3.707 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000539094685 384217087 /nfs/dbraw/zinc/21/70/87/384217087.db2.gz AFUYOFRMLYVQET-NSHDSACASA-N 1 1 209.358 3.707 20 30 BHEDMO C=CC[N@H+](CC(=C)CC)Cc1cccs1 ZINC000539094686 384215948 /nfs/dbraw/zinc/21/59/48/384215948.db2.gz AHWVYKCOVLKHIG-UHFFFAOYSA-N 1 1 221.369 3.702 20 30 BHEDMO C=C(CC)C[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000539094707 388748421 /nfs/dbraw/zinc/74/84/21/388748421.db2.gz COADYHVZRBKBBT-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000539094728 388747685 /nfs/dbraw/zinc/74/76/85/388747685.db2.gz FLJMDLHXQVTQCA-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=C(CC)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000539094746 388748441 /nfs/dbraw/zinc/74/84/41/388748441.db2.gz GVLXPDQHDKMBRD-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2sccc2[C@H]1C ZINC000539095049 388748338 /nfs/dbraw/zinc/74/83/38/388748338.db2.gz BLTUYLFVNZFZNL-LLVKDONJSA-N 1 1 221.369 3.633 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000539095062 388747705 /nfs/dbraw/zinc/74/77/05/388747705.db2.gz BLTUYLFVNZFZNL-NSHDSACASA-N 1 1 221.369 3.633 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000539095065 388748149 /nfs/dbraw/zinc/74/81/49/388748149.db2.gz PAQHHARRMCYIJA-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000539095066 388748426 /nfs/dbraw/zinc/74/84/26/388748426.db2.gz PAQHHARRMCYIJA-MRXNPFEDSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CC[N@H+](CC(=C)CC)Cc1cccc(C#N)c1 ZINC000539103099 388747696 /nfs/dbraw/zinc/74/76/96/388747696.db2.gz BMPRGAWEYJLFCH-UHFFFAOYSA-N 1 1 240.350 3.512 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000539103285 388747990 /nfs/dbraw/zinc/74/79/90/388747990.db2.gz BXUJTFOIDUVDHJ-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000539103286 388748001 /nfs/dbraw/zinc/74/80/01/388748001.db2.gz BXUJTFOIDUVDHJ-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=C(CC)C[N@@H+](CC)CCc1cccs1 ZINC000539103315 388747897 /nfs/dbraw/zinc/74/78/97/388747897.db2.gz DAKYYOIHTKZCPM-UHFFFAOYSA-N 1 1 223.385 3.579 20 30 BHEDMO C=C(CC)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000539104509 388748298 /nfs/dbraw/zinc/74/82/98/388748298.db2.gz SFUIDPTXBUHTAS-UHFFFAOYSA-N 1 1 235.293 3.617 20 30 BHEDMO C=C(CC)C[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000539105165 388747787 /nfs/dbraw/zinc/74/77/87/388747787.db2.gz OGJMKPMOMWUCRF-UHFFFAOYSA-N 1 1 247.382 3.526 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000539116157 388748947 /nfs/dbraw/zinc/74/89/47/388748947.db2.gz OMAGKLXQURCWIC-INIZCTEOSA-N 1 1 244.382 3.529 20 30 BHEDMO C=C(CC)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000539116158 388749360 /nfs/dbraw/zinc/74/93/60/388749360.db2.gz OMAGKLXQURCWIC-MRXNPFEDSA-N 1 1 244.382 3.529 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000539197107 388749826 /nfs/dbraw/zinc/74/98/26/388749826.db2.gz LKZTVJFCSOZCQF-AWEZNQCLSA-N 1 1 217.356 3.863 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000539197108 388750455 /nfs/dbraw/zinc/75/04/55/388750455.db2.gz LKZTVJFCSOZCQF-CQSZACIVSA-N 1 1 217.356 3.863 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000539199627 388749853 /nfs/dbraw/zinc/74/98/53/388749853.db2.gz JZSDNQBMCDCCQZ-GFCCVEGCSA-N 1 1 223.385 3.925 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000539199628 388750191 /nfs/dbraw/zinc/75/01/91/388750191.db2.gz JZSDNQBMCDCCQZ-LBPRGKRZSA-N 1 1 223.385 3.925 20 30 BHEDMO CCC[C@H](C)C[N@@H+](CCC#N)CCC(C)C ZINC000539398660 388757295 /nfs/dbraw/zinc/75/72/95/388757295.db2.gz IJAARGZNQOMANE-AWEZNQCLSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC[C@@H](C)C[N@@H+](CCC#N)CCC(C)C ZINC000539398663 388757269 /nfs/dbraw/zinc/75/72/69/388757269.db2.gz IJAARGZNQOMANE-CQSZACIVSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC[C@@H](C[N@@H+](CC)CCC#N)c1ccccc1 ZINC000539406740 388757239 /nfs/dbraw/zinc/75/72/39/388757239.db2.gz GYBPHJZSBMPHCG-INIZCTEOSA-N 1 1 244.382 3.806 20 30 BHEDMO CCC[C@H](C[N@@H+](CC)CCC#N)c1ccccc1 ZINC000539406741 388757488 /nfs/dbraw/zinc/75/74/88/388757488.db2.gz GYBPHJZSBMPHCG-MRXNPFEDSA-N 1 1 244.382 3.806 20 30 BHEDMO C=CCCC[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000539408625 388759131 /nfs/dbraw/zinc/75/91/31/388759131.db2.gz XFDNXTMSKKDHLF-AWEZNQCLSA-N 1 1 247.382 3.697 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000539408626 388758295 /nfs/dbraw/zinc/75/82/95/388758295.db2.gz XFDNXTMSKKDHLF-CQSZACIVSA-N 1 1 247.382 3.697 20 30 BHEDMO CCC[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000539409209 388759251 /nfs/dbraw/zinc/75/92/51/388759251.db2.gz VVSYHUSKXGXVMD-GDBMZVCRSA-N 1 1 244.382 3.662 20 30 BHEDMO CCC[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000539409211 388758463 /nfs/dbraw/zinc/75/84/63/388758463.db2.gz VVSYHUSKXGXVMD-GOEBONIOSA-N 1 1 244.382 3.662 20 30 BHEDMO CCC[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000539409212 388758991 /nfs/dbraw/zinc/75/89/91/388758991.db2.gz VVSYHUSKXGXVMD-HOCLYGCPSA-N 1 1 244.382 3.662 20 30 BHEDMO CCC[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000539409213 388759268 /nfs/dbraw/zinc/75/92/68/388759268.db2.gz VVSYHUSKXGXVMD-ZBFHGGJFSA-N 1 1 244.382 3.662 20 30 BHEDMO CCC[N@@H+](CC1CCCCC1)CC1(C#N)CC1 ZINC000539413488 388758438 /nfs/dbraw/zinc/75/84/38/388758438.db2.gz ODVYGGZVWSNYOR-UHFFFAOYSA-N 1 1 234.387 3.582 20 30 BHEDMO CCC[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000539425966 388758938 /nfs/dbraw/zinc/75/89/38/388758938.db2.gz ZGXMZKOEMPDAKL-UHFFFAOYSA-N 1 1 247.769 3.566 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000539450523 388759634 /nfs/dbraw/zinc/75/96/34/388759634.db2.gz DNFIRUMIWLOLKB-HNNXBMFYSA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000539450533 388759604 /nfs/dbraw/zinc/75/96/04/388759604.db2.gz DNFIRUMIWLOLKB-OAHLLOKOSA-N 1 1 246.398 3.725 20 30 BHEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000539568352 388766792 /nfs/dbraw/zinc/76/67/92/388766792.db2.gz HKTPEKOXKAROOW-AWEZNQCLSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000539568386 388766401 /nfs/dbraw/zinc/76/64/01/388766401.db2.gz HKTPEKOXKAROOW-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000539568891 388766529 /nfs/dbraw/zinc/76/65/29/388766529.db2.gz GMDOPRVCLDRWFF-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000539568892 388766504 /nfs/dbraw/zinc/76/65/04/388766504.db2.gz GMDOPRVCLDRWFF-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000539587397 388766002 /nfs/dbraw/zinc/76/60/02/388766002.db2.gz CESFJBLZEBJLHM-AWEZNQCLSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)CC[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000539587398 388766586 /nfs/dbraw/zinc/76/65/86/388766586.db2.gz CESFJBLZEBJLHM-CQSZACIVSA-N 1 1 236.403 3.827 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000539588754 388765923 /nfs/dbraw/zinc/76/59/23/388765923.db2.gz SOQYYBOQZOFIPN-UHFFFAOYSA-N 1 1 248.414 3.973 20 30 BHEDMO C=CC[N@H+](CCC(C)(C)C#N)CC1CCCCC1 ZINC000539588899 388766513 /nfs/dbraw/zinc/76/65/13/388766513.db2.gz VPMPDTSJXCHECG-UHFFFAOYSA-N 1 1 248.414 3.995 20 30 BHEDMO N#CC[N@@H+](CC1CCCCCC1)C1CCCC1 ZINC000539822813 388782143 /nfs/dbraw/zinc/78/21/43/388782143.db2.gz SYCKBSPWZWKLAZ-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CC[N@H+](CC1CCCCCC1)C1CCCC1 ZINC000539822813 388782139 /nfs/dbraw/zinc/78/21/39/388782139.db2.gz SYCKBSPWZWKLAZ-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cccs1 ZINC000539825514 388782350 /nfs/dbraw/zinc/78/23/50/388782350.db2.gz DFGYZTFLDYUCOE-UHFFFAOYSA-N 1 1 223.385 3.926 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccsc1 ZINC000539827642 388781545 /nfs/dbraw/zinc/78/15/45/388781545.db2.gz OJPJFYIVHIGLKA-UHFFFAOYSA-N 1 1 223.385 3.926 20 30 BHEDMO C=CC[N@H+](Cc1cccn1C)CC1CCCCC1 ZINC000539830607 388783931 /nfs/dbraw/zinc/78/39/31/388783931.db2.gz IHHBUMYBZJFTAN-UHFFFAOYSA-N 1 1 246.398 3.593 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1C ZINC000539834631 388782740 /nfs/dbraw/zinc/78/27/40/388782740.db2.gz AVJPGJSTLBXAGY-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000539836951 388783884 /nfs/dbraw/zinc/78/38/84/388783884.db2.gz PSKKJCRFVGSABY-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000539837438 388783230 /nfs/dbraw/zinc/78/32/30/388783230.db2.gz BXTHSAWQGXGKJV-UHFFFAOYSA-N 1 1 221.319 3.532 20 30 BHEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000539898868 388787222 /nfs/dbraw/zinc/78/72/22/388787222.db2.gz IKODTYUIPXXAPS-CYBMUJFWSA-N 1 1 246.354 3.696 20 30 BHEDMO CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000539898869 385023531 /nfs/dbraw/zinc/02/35/31/385023531.db2.gz IKODTYUIPXXAPS-ZDUSSCGKSA-N 1 1 246.354 3.696 20 30 BHEDMO C=CCC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000540043992 388793629 /nfs/dbraw/zinc/79/36/29/388793629.db2.gz KIWKEXHLEQBWMY-UHFFFAOYSA-N 1 1 227.351 3.660 20 30 BHEDMO C=C(CC)C[N@H+](CC)Cc1cccc(F)c1 ZINC000540193224 388799204 /nfs/dbraw/zinc/79/92/04/388799204.db2.gz GVROWGWDSWNPOQ-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000540193466 388799157 /nfs/dbraw/zinc/79/91/57/388799157.db2.gz KUVCCKPPRUWCCX-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000540193615 388799778 /nfs/dbraw/zinc/79/97/78/388799778.db2.gz MUMTYRGOMNZHPO-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000540193617 388800626 /nfs/dbraw/zinc/80/06/26/388800626.db2.gz MUMTYRGOMNZHPO-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000540193628 388799967 /nfs/dbraw/zinc/79/99/67/388799967.db2.gz AJOFCMYBBRFVMB-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=C(CC)C[N@@H+](CC)CCc1ccccc1 ZINC000540193763 388800409 /nfs/dbraw/zinc/80/04/09/388800409.db2.gz DULFXIFDABKQIA-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=C(CC)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000540204099 388799549 /nfs/dbraw/zinc/79/95/49/388799549.db2.gz KCGIJJIEXOOLTF-CYBMUJFWSA-N 1 1 227.417 3.560 20 30 BHEDMO C=C(CC)C[N@@H+]1CCCC[C@H](SCC)C1 ZINC000540204101 388800003 /nfs/dbraw/zinc/80/00/03/388800003.db2.gz KCGIJJIEXOOLTF-ZDUSSCGKSA-N 1 1 227.417 3.560 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000540205302 388800041 /nfs/dbraw/zinc/80/00/41/388800041.db2.gz YMEZSMUTFFYKIA-AWEZNQCLSA-N 1 1 247.382 3.524 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000540205303 388799385 /nfs/dbraw/zinc/79/93/85/388799385.db2.gz YMEZSMUTFFYKIA-CQSZACIVSA-N 1 1 247.382 3.524 20 30 BHEDMO C=C(CC)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000540216908 388800157 /nfs/dbraw/zinc/80/01/57/388800157.db2.gz BNOFAPKKKKVKGV-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000540218022 388799414 /nfs/dbraw/zinc/79/94/14/388799414.db2.gz ZPNVTVFPBKRFFX-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000540218023 388800689 /nfs/dbraw/zinc/80/06/89/388800689.db2.gz ZPNVTVFPBKRFFX-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=C(CC)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000540243029 388800712 /nfs/dbraw/zinc/80/07/12/388800712.db2.gz XPQVCHQSPWFMDX-UHFFFAOYSA-N 1 1 235.758 3.664 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+]1CCS[C@H](CC)C1 ZINC000540298194 388801566 /nfs/dbraw/zinc/80/15/66/388801566.db2.gz ZPVBYTQHKLMMIR-CHWSQXEVSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+]1CCS[C@@H](CC)C1 ZINC000540298199 388801150 /nfs/dbraw/zinc/80/11/50/388801150.db2.gz ZPVBYTQHKLMMIR-OLZOCXBDSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+]1CCS[C@H](CC)C1 ZINC000540298201 388801827 /nfs/dbraw/zinc/80/18/27/388801827.db2.gz ZPVBYTQHKLMMIR-QWHCGFSZSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+]1CCS[C@@H](CC)C1 ZINC000540298203 388802128 /nfs/dbraw/zinc/80/21/28/388802128.db2.gz ZPVBYTQHKLMMIR-STQMWFEESA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000540341114 388804811 /nfs/dbraw/zinc/80/48/11/388804811.db2.gz YWAOTZFVUWQALY-KBPBESRZSA-N 1 1 241.444 3.949 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000540341115 388804321 /nfs/dbraw/zinc/80/43/21/388804321.db2.gz YWAOTZFVUWQALY-KGLIPLIRSA-N 1 1 241.444 3.949 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000540341116 388804244 /nfs/dbraw/zinc/80/42/44/388804244.db2.gz YWAOTZFVUWQALY-UONOGXRCSA-N 1 1 241.444 3.949 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000540341117 388803613 /nfs/dbraw/zinc/80/36/13/388803613.db2.gz YWAOTZFVUWQALY-ZIAGYGMSSA-N 1 1 241.444 3.949 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000540345661 388803558 /nfs/dbraw/zinc/80/35/58/388803558.db2.gz BUNCAJAVASVIAO-GFCCVEGCSA-N 1 1 227.417 3.559 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000540345662 388803819 /nfs/dbraw/zinc/80/38/19/388803819.db2.gz BUNCAJAVASVIAO-LBPRGKRZSA-N 1 1 227.417 3.559 20 30 BHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC1(C#N)CC1 ZINC000540550141 388809973 /nfs/dbraw/zinc/80/99/73/388809973.db2.gz QYOFUVWVPFFVMZ-AWEZNQCLSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC1(C#N)CC1 ZINC000540550145 388809666 /nfs/dbraw/zinc/80/96/66/388809666.db2.gz QYOFUVWVPFFVMZ-CQSZACIVSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000540665106 388813894 /nfs/dbraw/zinc/81/38/94/388813894.db2.gz VIEPKNHTRSKTNQ-UHFFFAOYSA-N 1 1 248.414 3.971 20 30 BHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665573 388813119 /nfs/dbraw/zinc/81/31/19/388813119.db2.gz RNWPENCXNXNCDG-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665574 388813849 /nfs/dbraw/zinc/81/38/49/388813849.db2.gz RNWPENCXNXNCDG-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665575 388813592 /nfs/dbraw/zinc/81/35/92/388813592.db2.gz RNWPENCXNXNCDG-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665576 388812812 /nfs/dbraw/zinc/81/28/12/388812812.db2.gz RNWPENCXNXNCDG-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO C[N@@H+](CCC1CCCCC1)CCC(C)(C)C#N ZINC000540666238 388813555 /nfs/dbraw/zinc/81/35/55/388813555.db2.gz ANHJQHUXXFICMK-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO C=CCCCCC[N@H+](C)CCC(C)(C)C#N ZINC000540666835 388813891 /nfs/dbraw/zinc/81/38/91/388813891.db2.gz GIDZRJHINIIAKL-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(C)(C)C#N ZINC000540667885 388813161 /nfs/dbraw/zinc/81/31/61/388813161.db2.gz PCFQNURPHKMNLW-KBPBESRZSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(C)(C)C#N ZINC000540667888 388812695 /nfs/dbraw/zinc/81/26/95/388812695.db2.gz PCFQNURPHKMNLW-KGLIPLIRSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(C)(C)C#N ZINC000540667890 388812986 /nfs/dbraw/zinc/81/29/86/388812986.db2.gz PCFQNURPHKMNLW-UONOGXRCSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(C)(C)C#N ZINC000540667892 388813907 /nfs/dbraw/zinc/81/39/07/388813907.db2.gz PCFQNURPHKMNLW-ZIAGYGMSSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC(CC)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000540668303 388813600 /nfs/dbraw/zinc/81/36/00/388813600.db2.gz WFLZCRUQTMLRQE-UHFFFAOYSA-N 1 1 222.376 3.579 20 30 BHEDMO CCCCC[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000540686444 388815425 /nfs/dbraw/zinc/81/54/25/388815425.db2.gz LZHXOUWYUDFWLC-AWEZNQCLSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCC[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000540686445 388815798 /nfs/dbraw/zinc/81/57/98/388815798.db2.gz LZHXOUWYUDFWLC-CQSZACIVSA-N 1 1 236.403 3.971 20 30 BHEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(C)cc1 ZINC000540687632 388815470 /nfs/dbraw/zinc/81/54/70/388815470.db2.gz MUZKUOKUFQRJHF-UHFFFAOYSA-N 1 1 244.382 3.757 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000540890114 388821939 /nfs/dbraw/zinc/82/19/39/388821939.db2.gz RCCJGMYKAGAWOP-AWEZNQCLSA-N 1 1 247.357 3.971 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000540890115 388822989 /nfs/dbraw/zinc/82/29/89/388822989.db2.gz RCCJGMYKAGAWOP-CQSZACIVSA-N 1 1 247.357 3.971 20 30 BHEDMO C=CC[N@H+](CCc1ccco1)CCC(C)(C)C ZINC000540915271 388826060 /nfs/dbraw/zinc/82/60/60/388826060.db2.gz CRBSBEPMPPMEQD-UHFFFAOYSA-N 1 1 235.371 3.746 20 30 BHEDMO C=CCCC[N@H+](C)CCCc1ccsc1 ZINC000541173480 388842567 /nfs/dbraw/zinc/84/25/67/388842567.db2.gz QLNBTOHCXGZGEO-UHFFFAOYSA-N 1 1 223.385 3.579 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000541314536 388847618 /nfs/dbraw/zinc/84/76/18/388847618.db2.gz FSMIBPRSRCYYII-AWEZNQCLSA-N 1 1 234.387 3.604 20 30 BHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000541314541 388847930 /nfs/dbraw/zinc/84/79/30/388847930.db2.gz FSMIBPRSRCYYII-CQSZACIVSA-N 1 1 234.387 3.604 20 30 BHEDMO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541319998 388848721 /nfs/dbraw/zinc/84/87/21/388848721.db2.gz SKNJBPUKYILKRJ-BBRMVZONSA-N 1 1 245.366 3.654 20 30 BHEDMO C=CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541320000 388848436 /nfs/dbraw/zinc/84/84/36/388848436.db2.gz SKNJBPUKYILKRJ-CJNGLKHVSA-N 1 1 245.366 3.654 20 30 BHEDMO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541320001 388848223 /nfs/dbraw/zinc/84/82/23/388848223.db2.gz SKNJBPUKYILKRJ-CZUORRHYSA-N 1 1 245.366 3.654 20 30 BHEDMO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541320003 388847975 /nfs/dbraw/zinc/84/79/75/388847975.db2.gz SKNJBPUKYILKRJ-XJKSGUPXSA-N 1 1 245.366 3.654 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541388136 388849935 /nfs/dbraw/zinc/84/99/35/388849935.db2.gz WNRYFMOTDARHCM-HNNXBMFYSA-N 1 1 229.367 3.669 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541388137 388849691 /nfs/dbraw/zinc/84/96/91/388849691.db2.gz WNRYFMOTDARHCM-OAHLLOKOSA-N 1 1 229.367 3.669 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)CCc1ccccc1O ZINC000541389137 388850503 /nfs/dbraw/zinc/85/05/03/388850503.db2.gz NVIXAYWZIDSMQJ-AWEZNQCLSA-N 1 1 247.382 3.611 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)CCc1ccccc1O ZINC000541389138 388850316 /nfs/dbraw/zinc/85/03/16/388850316.db2.gz NVIXAYWZIDSMQJ-CQSZACIVSA-N 1 1 247.382 3.611 20 30 BHEDMO C[C@H]1CCCC[C@H]1C[N@@H+](CC#N)C1CCCC1 ZINC000541535070 388855311 /nfs/dbraw/zinc/85/53/11/388855311.db2.gz NBYHYEBJDSAKEK-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCCC[C@H]1C[N@H+](CC#N)C1CCCC1 ZINC000541535070 388855309 /nfs/dbraw/zinc/85/53/09/388855309.db2.gz NBYHYEBJDSAKEK-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCCC[C@H]1C[N@@H+](CC#N)C1CCCC1 ZINC000541535071 388854630 /nfs/dbraw/zinc/85/46/30/388854630.db2.gz NBYHYEBJDSAKEK-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCCC[C@H]1C[N@H+](CC#N)C1CCCC1 ZINC000541535071 388854627 /nfs/dbraw/zinc/85/46/27/388854627.db2.gz NBYHYEBJDSAKEK-KGLIPLIRSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCCC[C@@H]1C[N@@H+](CC#N)C1CCCC1 ZINC000541535072 388854954 /nfs/dbraw/zinc/85/49/54/388854954.db2.gz NBYHYEBJDSAKEK-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H]1CCCC[C@@H]1C[N@H+](CC#N)C1CCCC1 ZINC000541535072 388854950 /nfs/dbraw/zinc/85/49/50/388854950.db2.gz NBYHYEBJDSAKEK-UONOGXRCSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+](CC#N)C1CCCC1 ZINC000541535073 388854920 /nfs/dbraw/zinc/85/49/20/388854920.db2.gz NBYHYEBJDSAKEK-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+](CC#N)C1CCCC1 ZINC000541535073 388854917 /nfs/dbraw/zinc/85/49/17/388854917.db2.gz NBYHYEBJDSAKEK-ZIAGYGMSSA-N 1 1 234.387 3.581 20 30 BHEDMO C=CCCCCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000541576203 388858595 /nfs/dbraw/zinc/85/85/95/388858595.db2.gz CGDKESOJFJVZTC-HNNXBMFYSA-N 1 1 239.403 3.624 20 30 BHEDMO C=CCCCCC[N@H+](C)CC[C@H]1CCCCO1 ZINC000541576204 388858658 /nfs/dbraw/zinc/85/86/58/388858658.db2.gz CGDKESOJFJVZTC-OAHLLOKOSA-N 1 1 239.403 3.624 20 30 BHEDMO C=CC[N@H+](Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000541760544 388867257 /nfs/dbraw/zinc/86/72/57/388867257.db2.gz LTCPKAHDJXFYEX-UHFFFAOYSA-N 1 1 245.366 3.624 20 30 BHEDMO C=CC[N@H+](Cc1ccc(OCCC)cc1)C1CC1 ZINC000541761310 388867680 /nfs/dbraw/zinc/86/76/80/388867680.db2.gz YWVHVORRIZEITJ-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)CC1CCCCC1 ZINC000541774960 388867639 /nfs/dbraw/zinc/86/76/39/388867639.db2.gz NQDHWXVJGAEJKG-KBPBESRZSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@@H](C#N)C[N@H+](C)C[C@H](C)CC1CCCCC1 ZINC000541774962 388866795 /nfs/dbraw/zinc/86/67/95/388866795.db2.gz NQDHWXVJGAEJKG-KGLIPLIRSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H](C#N)C[N@H+](C)C[C@@H](C)CC1CCCCC1 ZINC000541774964 388866811 /nfs/dbraw/zinc/86/68/11/388866811.db2.gz NQDHWXVJGAEJKG-UONOGXRCSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@H](C)C#N ZINC000541774966 388867173 /nfs/dbraw/zinc/86/71/73/388867173.db2.gz NQDHWXVJGAEJKG-ZIAGYGMSSA-N 1 1 236.403 3.684 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000541872769 388871603 /nfs/dbraw/zinc/87/16/03/388871603.db2.gz IHFFODGUDLSPOI-JNSOCZORSA-N 1 1 227.351 3.740 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000541872770 388871505 /nfs/dbraw/zinc/87/15/05/388871505.db2.gz IHFFODGUDLSPOI-LPQFERQCSA-N 1 1 227.351 3.740 20 30 BHEDMO C=CCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000541872771 388872431 /nfs/dbraw/zinc/87/24/31/388872431.db2.gz IHFFODGUDLSPOI-PCUGXKRQSA-N 1 1 227.351 3.740 20 30 BHEDMO C=CCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000541872772 388871869 /nfs/dbraw/zinc/87/18/69/388871869.db2.gz IHFFODGUDLSPOI-YUQCYMQKSA-N 1 1 227.351 3.740 20 30 BHEDMO CC[N@@H+](C[C@H](C)C#N)CC(CC)(CC)CC ZINC000542019771 325004452 /nfs/dbraw/zinc/00/44/52/325004452.db2.gz HKCCTHRKDLYDMK-CYBMUJFWSA-N 1 1 224.392 3.684 20 30 BHEDMO CC[N@@H+](C[C@@H](C)C#N)CC(CC)(CC)CC ZINC000542019775 325004489 /nfs/dbraw/zinc/00/44/89/325004489.db2.gz HKCCTHRKDLYDMK-ZDUSSCGKSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC(CC)(CC)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000542020244 325004689 /nfs/dbraw/zinc/00/46/89/325004689.db2.gz VSTYONKNWHDKPP-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO CCC(CC)(CC)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000542020245 325004662 /nfs/dbraw/zinc/00/46/62/325004662.db2.gz VSTYONKNWHDKPP-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO C=C(C)C[N@@H+](CC)CCCc1ccsc1 ZINC000542091482 325008497 /nfs/dbraw/zinc/00/84/97/325008497.db2.gz FYVUQZNTCIZRNS-UHFFFAOYSA-N 1 1 223.385 3.579 20 30 BHEDMO CCCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542317185 325019290 /nfs/dbraw/zinc/01/92/90/325019290.db2.gz CLOWTWUKQIPUQO-UHFFFAOYSA-N 1 1 242.366 3.713 20 30 BHEDMO CC[C@@H]1CCC[C@H](C[N@@H+](CC)C[C@H](C)C#N)C1 ZINC000542464386 325028054 /nfs/dbraw/zinc/02/80/54/325028054.db2.gz GKZOHQZLFGBZFA-KFWWJZLASA-N 1 1 236.403 3.684 20 30 BHEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](CC)C[C@H](C)C#N)C1 ZINC000542464387 325028417 /nfs/dbraw/zinc/02/84/17/325028417.db2.gz GKZOHQZLFGBZFA-RBSFLKMASA-N 1 1 236.403 3.684 20 30 BHEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](CC)C[C@@H](C)C#N)C1 ZINC000542464388 325028070 /nfs/dbraw/zinc/02/80/70/325028070.db2.gz GKZOHQZLFGBZFA-RRFJBIMHSA-N 1 1 236.403 3.684 20 30 BHEDMO CC[C@@H]1CCC[C@H](C[N@@H+](CC)C[C@@H](C)C#N)C1 ZINC000542464389 325029166 /nfs/dbraw/zinc/02/91/66/325029166.db2.gz GKZOHQZLFGBZFA-ZNMIVQPWSA-N 1 1 236.403 3.684 20 30 BHEDMO C=CC[N@H+](Cc1cc(Cl)ccc1F)C1CC1 ZINC000542692039 325042180 /nfs/dbraw/zinc/04/21/80/325042180.db2.gz WYASNRMGGKHGOD-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1F)C1CC1 ZINC000542692039 325042177 /nfs/dbraw/zinc/04/21/77/325042177.db2.gz WYASNRMGGKHGOD-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@H+]([C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542693778 325042593 /nfs/dbraw/zinc/04/25/93/325042593.db2.gz WQBIWYAECRVKJY-CYBMUJFWSA-N 1 1 247.357 3.797 20 30 BHEDMO C=CC[N@H+]([C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000542693779 325042147 /nfs/dbraw/zinc/04/21/47/325042147.db2.gz WQBIWYAECRVKJY-ZDUSSCGKSA-N 1 1 247.357 3.797 20 30 BHEDMO C=C(C)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000542919803 325062921 /nfs/dbraw/zinc/06/29/21/325062921.db2.gz MEPYFKBJNSAYKP-CHWSQXEVSA-N 1 1 245.366 3.579 20 30 BHEDMO C=C(C)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542919806 325063129 /nfs/dbraw/zinc/06/31/29/325063129.db2.gz MEPYFKBJNSAYKP-OLZOCXBDSA-N 1 1 245.366 3.579 20 30 BHEDMO C=C(C)C[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000542919807 325062906 /nfs/dbraw/zinc/06/29/06/325062906.db2.gz 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/nfs/dbraw/zinc/08/58/35/325085835.db2.gz UDOKDSAYRASDPD-HUUCEWRRSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@H]1CCC[C@@H](C[N@@H+](CCC#N)C(C)C)C1 ZINC000543395152 325086141 /nfs/dbraw/zinc/08/61/41/325086141.db2.gz UDOKDSAYRASDPD-LSDHHAIUSA-N 1 1 236.403 3.827 20 30 BHEDMO CC[C@@H]1CCC[C@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000543395658 325085969 /nfs/dbraw/zinc/08/59/69/325085969.db2.gz ONRBHPKANKWPPB-KFWWJZLASA-N 1 1 248.414 3.827 20 30 BHEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000543395659 325086256 /nfs/dbraw/zinc/08/62/56/325086256.db2.gz ONRBHPKANKWPPB-RBSFLKMASA-N 1 1 248.414 3.827 20 30 BHEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1 ZINC000543395660 325086239 /nfs/dbraw/zinc/08/62/39/325086239.db2.gz ONRBHPKANKWPPB-RRFJBIMHSA-N 1 1 248.414 3.827 20 30 BHEDMO CC[C@@H]1CCC[C@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1 ZINC000543395661 325086190 /nfs/dbraw/zinc/08/61/90/325086190.db2.gz ONRBHPKANKWPPB-ZNMIVQPWSA-N 1 1 248.414 3.827 20 30 BHEDMO C=CC[N@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000543620605 325098546 /nfs/dbraw/zinc/09/85/46/325098546.db2.gz DHHPFAKOPGPBCF-UHFFFAOYSA-N 1 1 239.721 3.630 20 30 BHEDMO C=CC[N@H+](Cc1cccc(OCCC)c1)C1CC1 ZINC000543621181 325098443 /nfs/dbraw/zinc/09/84/43/325098443.db2.gz HDPSNAJRLFVFRG-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=C1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000543631897 325098648 /nfs/dbraw/zinc/09/86/48/325098648.db2.gz OEPLHHRJNQWYBY-IHWYPQMZSA-N 1 1 249.304 3.630 20 30 BHEDMO C=C1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000543631899 325098629 /nfs/dbraw/zinc/09/86/29/325098629.db2.gz OEPLHHRJNQWYBY-NSCUHMNNSA-N 1 1 249.304 3.630 20 30 BHEDMO C=CCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000543848083 325117780 /nfs/dbraw/zinc/11/77/80/325117780.db2.gz YMLSOJNRTHOOEI-CHWSQXEVSA-N 1 1 245.366 3.579 20 30 BHEDMO C=CCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000543848084 325117336 /nfs/dbraw/zinc/11/73/36/325117336.db2.gz YMLSOJNRTHOOEI-OLZOCXBDSA-N 1 1 245.366 3.579 20 30 BHEDMO 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C=CCCC[N@H+](C)Cc1cccc(F)c1Cl ZINC000555364109 388847044 /nfs/dbraw/zinc/84/70/44/388847044.db2.gz AOAXSIQJBSDARN-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO CCC[C@]1(C)CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555377704 388849535 /nfs/dbraw/zinc/84/95/35/388849535.db2.gz SIPYDWAHBUSUFN-QLFBSQMISA-N 1 1 234.387 3.581 20 30 BHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555377705 388849188 /nfs/dbraw/zinc/84/91/88/388849188.db2.gz SIPYDWAHBUSUFN-RBSFLKMASA-N 1 1 234.387 3.581 20 30 BHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000555377706 388849421 /nfs/dbraw/zinc/84/94/21/388849421.db2.gz SIPYDWAHBUSUFN-RRFJBIMHSA-N 1 1 234.387 3.581 20 30 BHEDMO CCC[C@]1(C)CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555377707 388848342 /nfs/dbraw/zinc/84/83/42/388848342.db2.gz SIPYDWAHBUSUFN-SOUVJXGZSA-N 1 1 234.387 3.581 20 30 BHEDMO Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)ccc1C#N ZINC000555515747 388785847 /nfs/dbraw/zinc/78/58/47/388785847.db2.gz KORGDDSMSLKEQH-CYBMUJFWSA-N 1 1 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20 30 BHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000584865376 358206944 /nfs/dbraw/zinc/20/69/44/358206944.db2.gz ASHVNYJAUHKZCU-IUODEOHRSA-N 1 1 246.354 3.552 20 30 BHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000584865377 358207028 /nfs/dbraw/zinc/20/70/28/358207028.db2.gz ASHVNYJAUHKZCU-SWLSCSKDSA-N 1 1 246.354 3.552 20 30 BHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000584865378 358207210 /nfs/dbraw/zinc/20/72/10/358207210.db2.gz ASHVNYJAUHKZCU-WFASDCNBSA-N 1 1 246.354 3.552 20 30 BHEDMO C[N@@H+](CCC(C)(C)C#N)C(C)(C)c1ccccc1 ZINC000585754269 345985305 /nfs/dbraw/zinc/98/53/05/345985305.db2.gz CQBFOVUGCRKWRU-UHFFFAOYSA-N 1 1 244.382 3.793 20 30 BHEDMO C[N@@H+](CCCCC#N)C(C)(C)c1ccccc1 ZINC000585754522 345985182 /nfs/dbraw/zinc/98/51/82/345985182.db2.gz QEOWKKSQUFOIOS-UHFFFAOYSA-N 1 1 230.355 3.547 20 30 BHEDMO CC(C)C(C[N@H+]1CCC[C@@](C)(C#N)C1)C(C)C ZINC000585767310 345989096 /nfs/dbraw/zinc/98/90/96/345989096.db2.gz JYIRJBCDILLHOU-HNNXBMFYSA-N 1 1 236.403 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246.398 3.604 20 30 BHEDMO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000589511573 346710547 /nfs/dbraw/zinc/71/05/47/346710547.db2.gz VOQSFQZVTJXVIQ-IMJJTQAJSA-N 1 1 246.398 3.604 20 30 BHEDMO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000589511574 346710611 /nfs/dbraw/zinc/71/06/11/346710611.db2.gz VOQSFQZVTJXVIQ-NUEKZKHPSA-N 1 1 246.398 3.604 20 30 BHEDMO C[C@H](CC#N)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000589734200 346733579 /nfs/dbraw/zinc/73/35/79/346733579.db2.gz WSTZLGIZSBACCK-CYBMUJFWSA-N 1 1 242.366 3.736 20 30 BHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000589734201 346733901 /nfs/dbraw/zinc/73/39/01/346733901.db2.gz WSTZLGIZSBACCK-ZDUSSCGKSA-N 1 1 242.366 3.736 20 30 BHEDMO C[C@@]1(C#N)CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000590173233 346786921 /nfs/dbraw/zinc/78/69/21/346786921.db2.gz SWFJEMFWRAVSRG-CABCVRRESA-N 1 1 232.371 3.501 20 30 BHEDMO C[C@@]1(C#N)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000590173235 346787381 /nfs/dbraw/zinc/78/73/81/346787381.db2.gz SWFJEMFWRAVSRG-GJZGRUSLSA-N 1 1 232.371 3.501 20 30 BHEDMO C[C@]1(C#N)CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000590173236 346787353 /nfs/dbraw/zinc/78/73/53/346787353.db2.gz SWFJEMFWRAVSRG-HUUCEWRRSA-N 1 1 232.371 3.501 20 30 BHEDMO C[C@]1(C#N)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000590173238 346787229 /nfs/dbraw/zinc/78/72/29/346787229.db2.gz SWFJEMFWRAVSRG-LSDHHAIUSA-N 1 1 232.371 3.501 20 30 BHEDMO C[N@@H+](Cc1ccccc1C1CC1)CC(C)(C)C#N ZINC000590372137 347037741 /nfs/dbraw/zinc/03/77/41/347037741.db2.gz UBQQWSJANGPKKL-UHFFFAOYSA-N 1 1 242.366 3.546 20 30 BHEDMO C[N@H+](Cc1ccccc1C1CC1)CC(C)(C)C#N ZINC000590372137 347037736 /nfs/dbraw/zinc/03/77/36/347037736.db2.gz UBQQWSJANGPKKL-UHFFFAOYSA-N 1 1 242.366 3.546 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1F)[C@H]1C=CCCC1 ZINC000590400312 347087136 /nfs/dbraw/zinc/08/71/36/347087136.db2.gz BHVMSFWJNKEUQF-HNNXBMFYSA-N 1 1 245.341 3.922 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1F)[C@@H]1C=CCCC1 ZINC000590400322 347087185 /nfs/dbraw/zinc/08/71/85/347087185.db2.gz 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FRNPTIBMIQTMAY-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO N#CC1(CC[N@H+]2CCC[C@H]2C2CC2)CCCCC1 ZINC000591013115 347606238 /nfs/dbraw/zinc/60/62/38/347606238.db2.gz UOYIVUAWVYVOIC-HNNXBMFYSA-N 1 1 246.398 3.725 20 30 BHEDMO N#CC1(CC[N@H+]2CCC[C@@H]2C2CC2)CCCCC1 ZINC000591013116 347606244 /nfs/dbraw/zinc/60/62/44/347606244.db2.gz UOYIVUAWVYVOIC-OAHLLOKOSA-N 1 1 246.398 3.725 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000591015742 347606875 /nfs/dbraw/zinc/60/68/75/347606875.db2.gz OCPHEVQIEAEJRW-BXUZGUMPSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000591015742 347606873 /nfs/dbraw/zinc/60/68/73/347606873.db2.gz OCPHEVQIEAEJRW-BXUZGUMPSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000591015743 347606948 /nfs/dbraw/zinc/60/69/48/347606948.db2.gz OCPHEVQIEAEJRW-FZMZJTMJSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000591015743 347606947 /nfs/dbraw/zinc/60/69/47/347606947.db2.gz OCPHEVQIEAEJRW-FZMZJTMJSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000591015744 347606896 /nfs/dbraw/zinc/60/68/96/347606896.db2.gz OCPHEVQIEAEJRW-RISCZKNCSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@H](CCC#N)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000591015744 347606894 /nfs/dbraw/zinc/60/68/94/347606894.db2.gz OCPHEVQIEAEJRW-RISCZKNCSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000591015745 347606957 /nfs/dbraw/zinc/60/69/57/347606957.db2.gz OCPHEVQIEAEJRW-SMDDNHRTSA-N 1 1 248.757 3.779 20 30 BHEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000591015745 347606955 /nfs/dbraw/zinc/60/69/55/347606955.db2.gz OCPHEVQIEAEJRW-SMDDNHRTSA-N 1 1 248.757 3.779 20 30 BHEDMO CC(C)c1ccc(C(C)(C)[NH2+]CCC#N)cc1 ZINC000591017674 347607365 /nfs/dbraw/zinc/60/73/65/347607365.db2.gz DMENNBOAYAYLMV-UHFFFAOYSA-N 1 1 230.355 3.548 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063243 347612459 /nfs/dbraw/zinc/61/24/59/347612459.db2.gz MDZZVASMGHNQBR-HNNXBMFYSA-N 1 1 248.414 3.828 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063248 347612612 /nfs/dbraw/zinc/61/26/12/347612612.db2.gz MDZZVASMGHNQBR-OAHLLOKOSA-N 1 1 248.414 3.828 20 30 BHEDMO N#CCCNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000591773899 347698424 /nfs/dbraw/zinc/69/84/24/347698424.db2.gz XRFNQEPLNQQEQK-UHFFFAOYSA-N 1 1 243.354 3.614 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1=CCCC1 ZINC000592125769 347737938 /nfs/dbraw/zinc/73/79/38/347737938.db2.gz IVPKWZXUKVIOHM-CYBMUJFWSA-N 1 1 240.350 3.661 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1=CCCC1 ZINC000592125773 347738995 /nfs/dbraw/zinc/73/89/95/347738995.db2.gz IVPKWZXUKVIOHM-ZDUSSCGKSA-N 1 1 240.350 3.661 20 30 BHEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000592154784 347744217 /nfs/dbraw/zinc/74/42/17/347744217.db2.gz WQFJXNGPBBMJAS-CABCVRRESA-N 1 1 248.414 3.828 20 30 BHEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000592154786 347745527 /nfs/dbraw/zinc/74/55/27/347745527.db2.gz WQFJXNGPBBMJAS-GJZGRUSLSA-N 1 1 248.414 3.828 20 30 BHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000592154789 347745585 /nfs/dbraw/zinc/74/55/85/347745585.db2.gz WQFJXNGPBBMJAS-HUUCEWRRSA-N 1 1 248.414 3.828 20 30 BHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000592154791 347745406 /nfs/dbraw/zinc/74/54/06/347745406.db2.gz WQFJXNGPBBMJAS-LSDHHAIUSA-N 1 1 248.414 3.828 20 30 BHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000592180007 347758966 /nfs/dbraw/zinc/75/89/66/347758966.db2.gz FIQJAKINLDYWBB-UHFFFAOYSA-N 1 1 244.382 3.718 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592197989 347750869 /nfs/dbraw/zinc/75/08/69/347750869.db2.gz GIAFHAPVWQJBNY-AWEZNQCLSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592197998 347750734 /nfs/dbraw/zinc/75/07/34/347750734.db2.gz GIAFHAPVWQJBNY-CQSZACIVSA-N 1 1 234.387 3.581 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592198767 347751186 /nfs/dbraw/zinc/75/11/86/347751186.db2.gz SGOHMHXIFQWRIX-HNNXBMFYSA-N 1 1 248.414 3.971 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198768 347750729 /nfs/dbraw/zinc/75/07/29/347750729.db2.gz SGOHMHXIFQWRIX-OAHLLOKOSA-N 1 1 248.414 3.971 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000592322387 347767911 /nfs/dbraw/zinc/76/79/11/347767911.db2.gz CSFDHRYFXNTWFY-INIZCTEOSA-N 1 1 229.367 3.517 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000592322399 347767968 /nfs/dbraw/zinc/76/79/68/347767968.db2.gz CSFDHRYFXNTWFY-MRXNPFEDSA-N 1 1 229.367 3.517 20 30 BHEDMO C[N@@H+](CCC(C)(C)C)CC(C)(C)CCC#N ZINC000592523634 347794913 /nfs/dbraw/zinc/79/49/13/347794913.db2.gz PHIBAFXGJUWXFZ-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1CCC12CCCC2 ZINC000593039285 347843315 /nfs/dbraw/zinc/84/33/15/347843315.db2.gz PPBLNYOBSXFYMK-UHFFFAOYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CC1(CC[N@H+]2CCC23CCCC3)CCCCC1 ZINC000593039353 347843293 /nfs/dbraw/zinc/84/32/93/347843293.db2.gz RJPDFCGNIKATGB-UHFFFAOYSA-N 1 1 246.398 3.869 20 30 BHEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1F ZINC000593062460 347849199 /nfs/dbraw/zinc/84/91/99/347849199.db2.gz ZAXOGVXAICWMHB-AWEZNQCLSA-N 1 1 246.329 3.560 20 30 BHEDMO CCC(C)(C)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119609 347862666 /nfs/dbraw/zinc/86/26/66/347862666.db2.gz CHSDNORHMUUUJL-UHFFFAOYSA-N 1 1 242.366 3.700 20 30 BHEDMO CCC(C)(C)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119609 347862664 /nfs/dbraw/zinc/86/26/64/347862664.db2.gz CHSDNORHMUUUJL-UHFFFAOYSA-N 1 1 242.366 3.700 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127746 347864795 /nfs/dbraw/zinc/86/47/95/347864795.db2.gz VMLPSLWKPIYXTN-CYBMUJFWSA-N 1 1 240.350 3.619 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127746 347864794 /nfs/dbraw/zinc/86/47/94/347864794.db2.gz VMLPSLWKPIYXTN-CYBMUJFWSA-N 1 1 240.350 3.619 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127747 347864935 /nfs/dbraw/zinc/86/49/35/347864935.db2.gz VMLPSLWKPIYXTN-ZDUSSCGKSA-N 1 1 240.350 3.619 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127747 347864932 /nfs/dbraw/zinc/86/49/32/347864932.db2.gz VMLPSLWKPIYXTN-ZDUSSCGKSA-N 1 1 240.350 3.619 20 30 BHEDMO C[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)C(C)(C)C ZINC000593695533 347929778 /nfs/dbraw/zinc/92/97/78/347929778.db2.gz BGTLRPXMLBAWEO-GFCCVEGCSA-N 1 1 242.366 3.556 20 30 BHEDMO C[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)C(C)(C)C ZINC000593695538 347929712 /nfs/dbraw/zinc/92/97/12/347929712.db2.gz BGTLRPXMLBAWEO-LBPRGKRZSA-N 1 1 242.366 3.556 20 30 BHEDMO CC(C)C[C@@H](C)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028733 347992201 /nfs/dbraw/zinc/99/22/01/347992201.db2.gz XTXGTKLEOTUEOH-CYBMUJFWSA-N 1 1 242.366 3.556 20 30 BHEDMO CC(C)C[C@H](C)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028734 347992297 /nfs/dbraw/zinc/99/22/97/347992297.db2.gz XTXGTKLEOTUEOH-ZDUSSCGKSA-N 1 1 242.366 3.556 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053865 348009156 /nfs/dbraw/zinc/00/91/56/348009156.db2.gz RJWROHMEUMMZSP-HNNXBMFYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053868 348009093 /nfs/dbraw/zinc/00/90/93/348009093.db2.gz RJWROHMEUMMZSP-OAHLLOKOSA-N 1 1 234.387 3.725 20 30 BHEDMO C[C@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000594610472 348082127 /nfs/dbraw/zinc/08/21/27/348082127.db2.gz FJSPESIEZNCYHW-GFCCVEGCSA-N 1 1 242.366 3.556 20 30 BHEDMO C[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000594610475 348082207 /nfs/dbraw/zinc/08/22/07/348082207.db2.gz FJSPESIEZNCYHW-LBPRGKRZSA-N 1 1 242.366 3.556 20 30 BHEDMO C=C1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000594733984 348109749 /nfs/dbraw/zinc/10/97/49/348109749.db2.gz OXUYTGLMNYLWNI-LLVKDONJSA-N 1 1 237.293 3.678 20 30 BHEDMO C=C1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000594733985 348109537 /nfs/dbraw/zinc/10/95/37/348109537.db2.gz OXUYTGLMNYLWNI-NSHDSACASA-N 1 1 237.293 3.678 20 30 BHEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cs1 ZINC000594980897 348164318 /nfs/dbraw/zinc/16/43/18/348164318.db2.gz CLZUTGXPRWIYOL-UHFFFAOYSA-N 1 1 248.395 3.620 20 30 BHEDMO Cc1sccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980966 348164187 /nfs/dbraw/zinc/16/41/87/348164187.db2.gz DQMSMEXSTMBGNV-UHFFFAOYSA-N 1 1 248.395 3.620 20 30 BHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccsc1 ZINC000595092068 348191907 /nfs/dbraw/zinc/19/19/07/348191907.db2.gz VXYMPTCFGUKWEN-GFCCVEGCSA-N 1 1 248.395 3.873 20 30 BHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccsc1 ZINC000595092069 348191946 /nfs/dbraw/zinc/19/19/46/348191946.db2.gz VXYMPTCFGUKWEN-LBPRGKRZSA-N 1 1 248.395 3.873 20 30 BHEDMO C[N@@H+](CCCC1CCC1)Cc1ccc(C#N)cc1 ZINC000595288237 348213269 /nfs/dbraw/zinc/21/32/69/348213269.db2.gz LXORDLMFGWLSDS-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO C[N@@H+](CCCC1CCC1)Cc1cccc(C#N)c1 ZINC000595289997 348213110 /nfs/dbraw/zinc/21/31/10/348213110.db2.gz RZXISCMVYMMASF-UHFFFAOYSA-N 1 1 242.366 3.570 20 30 BHEDMO CC[N@H+](Cc1cccc(C(C)C)c1)C[C@@H](C)C#N ZINC000595302428 348219907 /nfs/dbraw/zinc/21/99/07/348219907.db2.gz HFOHRMQZHXVSGE-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1cccc(C(C)C)c1)C[C@@H](C)C#N ZINC000595302428 348219906 /nfs/dbraw/zinc/21/99/06/348219906.db2.gz HFOHRMQZHXVSGE-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@H+](Cc1cccc(C(C)C)c1)C[C@H](C)C#N ZINC000595302429 348219850 /nfs/dbraw/zinc/21/98/50/348219850.db2.gz HFOHRMQZHXVSGE-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1cccc(C(C)C)c1)C[C@H](C)C#N ZINC000595302429 348219849 /nfs/dbraw/zinc/21/98/49/348219849.db2.gz HFOHRMQZHXVSGE-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595302444 348219648 /nfs/dbraw/zinc/21/96/48/348219648.db2.gz UAGFSQGNCNGKPE-CYBMUJFWSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595302444 348219645 /nfs/dbraw/zinc/21/96/45/348219645.db2.gz UAGFSQGNCNGKPE-CYBMUJFWSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595302445 348219782 /nfs/dbraw/zinc/21/97/82/348219782.db2.gz UAGFSQGNCNGKPE-ZDUSSCGKSA-N 1 1 244.382 3.576 20 30 BHEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595302445 348219779 /nfs/dbraw/zinc/21/97/79/348219779.db2.gz UAGFSQGNCNGKPE-ZDUSSCGKSA-N 1 1 244.382 3.576 20 30 BHEDMO CC(C)=CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000595329918 348227965 /nfs/dbraw/zinc/22/79/65/348227965.db2.gz YMYAXJTVEASSCJ-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO CC(C)c1cccc(C[N@H+](CCC#N)C(C)C)c1 ZINC000595331632 348228331 /nfs/dbraw/zinc/22/83/31/348228331.db2.gz BNSLTAUCVJAABB-UHFFFAOYSA-N 1 1 244.382 3.934 20 30 BHEDMO CC(C)c1cccc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000595331632 348228329 /nfs/dbraw/zinc/22/83/29/348228329.db2.gz BNSLTAUCVJAABB-UHFFFAOYSA-N 1 1 244.382 3.934 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1cccc(C(C)C)c1 ZINC000595332244 348229172 /nfs/dbraw/zinc/22/91/72/348229172.db2.gz HLTQSHKAUMZJRR-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO CC[N@H+](CCC#N)Cc1cccc(C(C)C)c1 ZINC000595332244 348229169 /nfs/dbraw/zinc/22/91/69/348229169.db2.gz HLTQSHKAUMZJRR-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595346069 348235015 /nfs/dbraw/zinc/23/50/15/348235015.db2.gz UQKWWOANABOTOZ-CYBMUJFWSA-N 1 1 244.382 3.718 20 30 BHEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595346069 348235012 /nfs/dbraw/zinc/23/50/12/348235012.db2.gz UQKWWOANABOTOZ-CYBMUJFWSA-N 1 1 244.382 3.718 20 30 BHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595346070 348235039 /nfs/dbraw/zinc/23/50/39/348235039.db2.gz UQKWWOANABOTOZ-ZDUSSCGKSA-N 1 1 244.382 3.718 20 30 BHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595346070 348235037 /nfs/dbraw/zinc/23/50/37/348235037.db2.gz UQKWWOANABOTOZ-ZDUSSCGKSA-N 1 1 244.382 3.718 20 30 BHEDMO CC(C)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000595346357 348235381 /nfs/dbraw/zinc/23/53/81/348235381.db2.gz VKFZKOVAOVMCGZ-CYBMUJFWSA-N 1 1 230.355 3.544 20 30 BHEDMO CC(C)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000595346357 348235377 /nfs/dbraw/zinc/23/53/77/348235377.db2.gz VKFZKOVAOVMCGZ-CYBMUJFWSA-N 1 1 230.355 3.544 20 30 BHEDMO CC(C)c1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000595346358 348235254 /nfs/dbraw/zinc/23/52/54/348235254.db2.gz VKFZKOVAOVMCGZ-ZDUSSCGKSA-N 1 1 230.355 3.544 20 30 BHEDMO CC(C)c1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000595346358 348235251 /nfs/dbraw/zinc/23/52/51/348235251.db2.gz VKFZKOVAOVMCGZ-ZDUSSCGKSA-N 1 1 230.355 3.544 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)CC1CC=CC1 ZINC000595349148 348237181 /nfs/dbraw/zinc/23/71/81/348237181.db2.gz ZIZDCMCXJRAWJZ-UHFFFAOYSA-N 1 1 234.387 3.604 20 30 BHEDMO CC(C)=CCC[N@@H+](CCC#N)CCC(C)C ZINC000595349157 348237192 /nfs/dbraw/zinc/23/71/92/348237192.db2.gz ZODNEAGRWLPKLY-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO CCC(CC)[N@@H+](CC)CCc1ccc(C#N)cc1 ZINC000595488684 348261633 /nfs/dbraw/zinc/26/16/33/348261633.db2.gz IIILPDZHAGRCLT-UHFFFAOYSA-N 1 1 244.382 3.611 20 30 BHEDMO CCCC[C@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595489924 348261564 /nfs/dbraw/zinc/26/15/64/348261564.db2.gz KKDPDIITFJNBGP-AWEZNQCLSA-N 1 1 244.382 3.611 20 30 BHEDMO CCCC[C@@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595489926 348261330 /nfs/dbraw/zinc/26/13/30/348261330.db2.gz KKDPDIITFJNBGP-CQSZACIVSA-N 1 1 244.382 3.611 20 30 BHEDMO CC(C)c1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000595500819 348263694 /nfs/dbraw/zinc/26/36/94/348263694.db2.gz MDFOOQDXWZRWMX-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO CC(C)c1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000595500819 348263689 /nfs/dbraw/zinc/26/36/89/348263689.db2.gz MDFOOQDXWZRWMX-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(C)C)c1 ZINC000595529507 348272621 /nfs/dbraw/zinc/27/26/21/348272621.db2.gz JNQXPVZNHBJBRU-HNNXBMFYSA-N 1 1 230.355 3.592 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(C)C)c1 ZINC000595529513 348272663 /nfs/dbraw/zinc/27/26/63/348272663.db2.gz JNQXPVZNHBJBRU-OAHLLOKOSA-N 1 1 230.355 3.592 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(C)(C)C)c1 ZINC000595529595 348272618 /nfs/dbraw/zinc/27/26/18/348272618.db2.gz LBDUVEHISLYQQM-HNNXBMFYSA-N 1 1 244.382 3.766 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(C)(C)C)c1 ZINC000595529944 348272625 /nfs/dbraw/zinc/27/26/25/348272625.db2.gz LBDUVEHISLYQQM-OAHLLOKOSA-N 1 1 244.382 3.766 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCC1 ZINC000595548175 348268605 /nfs/dbraw/zinc/26/86/05/348268605.db2.gz ARAHDPBNXGPCJU-CYBMUJFWSA-N 1 1 242.366 3.741 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCC1 ZINC000595548177 348268631 /nfs/dbraw/zinc/26/86/31/348268631.db2.gz ARAHDPBNXGPCJU-ZDUSSCGKSA-N 1 1 242.366 3.741 20 30 BHEDMO CC(C)=CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549728 348268354 /nfs/dbraw/zinc/26/83/54/348268354.db2.gz LQXNONMRPDUDGX-AWEZNQCLSA-N 1 1 242.366 3.907 20 30 BHEDMO CC(C)=CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549729 348268739 /nfs/dbraw/zinc/26/87/39/348268739.db2.gz LQXNONMRPDUDGX-CQSZACIVSA-N 1 1 242.366 3.907 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CC=CC1 ZINC000595549730 348268381 /nfs/dbraw/zinc/26/83/81/348268381.db2.gz LRASWSJXFQPVIH-CYBMUJFWSA-N 1 1 240.350 3.517 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CC=CC1 ZINC000595549731 348268534 /nfs/dbraw/zinc/26/85/34/348268534.db2.gz LRASWSJXFQPVIH-ZDUSSCGKSA-N 1 1 240.350 3.517 20 30 BHEDMO N#CC1(CC[N@H+]2C[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000595566534 348283768 /nfs/dbraw/zinc/28/37/68/348283768.db2.gz IBSXZBSBYWBSAH-GJZGRUSLSA-N 1 1 246.398 3.725 20 30 BHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567852 348283737 /nfs/dbraw/zinc/28/37/37/348283737.db2.gz RKWCAJWZPDKRFA-KBPBESRZSA-N 1 1 234.387 3.581 20 30 BHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCCC#N ZINC000595599939 348294591 /nfs/dbraw/zinc/29/45/91/348294591.db2.gz CJHVLXZPMLWCLV-HNNXBMFYSA-N 1 1 242.366 3.744 20 30 BHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCCC#N ZINC000595599940 348294844 /nfs/dbraw/zinc/29/48/44/348294844.db2.gz CJHVLXZPMLWCLV-OAHLLOKOSA-N 1 1 242.366 3.744 20 30 BHEDMO CC(C)(C)[N@@H+](CCCC#N)Cc1ccsc1 ZINC000595600783 348295574 /nfs/dbraw/zinc/29/55/74/348295574.db2.gz JGHGTFMWWLSDLC-UHFFFAOYSA-N 1 1 236.384 3.652 20 30 BHEDMO CC(C)(C)[N@@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000595603059 348286436 /nfs/dbraw/zinc/28/64/36/348286436.db2.gz XEWVTGKNHVWTSC-UHFFFAOYSA-N 1 1 248.395 3.652 20 30 BHEDMO CC(C)(C)[N@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000595603059 348286433 /nfs/dbraw/zinc/28/64/33/348286433.db2.gz XEWVTGKNHVWTSC-UHFFFAOYSA-N 1 1 248.395 3.652 20 30 BHEDMO C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610782 487872981 /nfs/dbraw/zinc/87/29/81/487872981.db2.gz CCPPNUCKCYQGJV-CHWSQXEVSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610783 487872779 /nfs/dbraw/zinc/87/27/79/487872779.db2.gz CCPPNUCKCYQGJV-OLZOCXBDSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610784 487872896 /nfs/dbraw/zinc/87/28/96/487872896.db2.gz CCPPNUCKCYQGJV-QWHCGFSZSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610785 487873018 /nfs/dbraw/zinc/87/30/18/487873018.db2.gz CCPPNUCKCYQGJV-STQMWFEESA-N 1 1 246.329 3.512 20 30 BHEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613172 385634354 /nfs/dbraw/zinc/63/43/54/385634354.db2.gz AFQLHCYGVGAMTK-CABCVRRESA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613173 385634712 /nfs/dbraw/zinc/63/47/12/385634712.db2.gz AFQLHCYGVGAMTK-GJZGRUSLSA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613175 385634614 /nfs/dbraw/zinc/63/46/14/385634614.db2.gz AFQLHCYGVGAMTK-HUUCEWRRSA-N 1 1 242.366 3.682 20 30 BHEDMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613176 385634481 /nfs/dbraw/zinc/63/44/81/385634481.db2.gz AFQLHCYGVGAMTK-LSDHHAIUSA-N 1 1 242.366 3.682 20 30 BHEDMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613318 348288426 /nfs/dbraw/zinc/28/84/26/348288426.db2.gz 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CCC(CC)CCC[N@@H+](C)CCCCC#N ZINC000595827639 348364209 /nfs/dbraw/zinc/36/42/09/348364209.db2.gz CTGGSJMUEOOXAC-UHFFFAOYSA-N 1 1 224.392 3.828 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595830942 348365571 /nfs/dbraw/zinc/36/55/71/348365571.db2.gz CHFJWLKHWBURQU-HNNXBMFYSA-N 1 1 248.414 3.828 20 30 BHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595830944 348365783 /nfs/dbraw/zinc/36/57/83/348365783.db2.gz CHFJWLKHWBURQU-OAHLLOKOSA-N 1 1 248.414 3.828 20 30 BHEDMO CCC(CC)CCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000595833870 348367587 /nfs/dbraw/zinc/36/75/87/348367587.db2.gz SMBHZBBRDZLFEZ-HNNXBMFYSA-N 1 1 249.402 3.578 20 30 BHEDMO CCC(CC)CCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000595833871 348367106 /nfs/dbraw/zinc/36/71/06/348367106.db2.gz SMBHZBBRDZLFEZ-OAHLLOKOSA-N 1 1 249.402 3.578 20 30 BHEDMO CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834741 348367991 /nfs/dbraw/zinc/36/79/91/348367991.db2.gz LMWDJNJGCJGHLI-INIZCTEOSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834741 348367990 /nfs/dbraw/zinc/36/79/90/348367990.db2.gz LMWDJNJGCJGHLI-INIZCTEOSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834742 348368349 /nfs/dbraw/zinc/36/83/49/348368349.db2.gz LMWDJNJGCJGHLI-MRXNPFEDSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834742 348368347 /nfs/dbraw/zinc/36/83/47/348368347.db2.gz LMWDJNJGCJGHLI-MRXNPFEDSA-N 1 1 242.366 3.546 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595837263 348371199 /nfs/dbraw/zinc/37/11/99/348371199.db2.gz FMXZMLZGMDAJBA-CABCVRRESA-N 1 1 246.329 3.512 20 30 BHEDMO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595837263 348371198 /nfs/dbraw/zinc/37/11/98/348371198.db2.gz FMXZMLZGMDAJBA-CABCVRRESA-N 1 1 246.329 3.512 20 30 BHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595837265 348370749 /nfs/dbraw/zinc/37/07/49/348370749.db2.gz FMXZMLZGMDAJBA-GJZGRUSLSA-N 1 1 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/nfs/dbraw/zinc/37/53/23/348375323.db2.gz GAKDHIKCIDNVMF-INIZCTEOSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595840819 348375320 /nfs/dbraw/zinc/37/53/20/348375320.db2.gz GAKDHIKCIDNVMF-INIZCTEOSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840820 348375206 /nfs/dbraw/zinc/37/52/06/348375206.db2.gz GAKDHIKCIDNVMF-MRXNPFEDSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840820 348375204 /nfs/dbraw/zinc/37/52/04/348375204.db2.gz GAKDHIKCIDNVMF-MRXNPFEDSA-N 1 1 242.366 3.546 20 30 BHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(C)(C)C#N ZINC000595845364 348354971 /nfs/dbraw/zinc/35/49/71/348354971.db2.gz MMOBMPTVAIQAFU-GASCZTMLSA-N 1 1 246.398 3.889 20 30 BHEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(C)(C)C#N ZINC000595856762 348357837 /nfs/dbraw/zinc/35/78/37/348357837.db2.gz DWNPQQRIPSLXSO-GOOCMWNKSA-N 1 1 248.414 3.969 20 30 BHEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C#N ZINC000595858058 348358740 /nfs/dbraw/zinc/35/87/40/348358740.db2.gz RJKFFMHTJHVVLX-AGUYFDCRSA-N 1 1 234.387 3.579 20 30 BHEDMO CC[C@@H](c1ccccc1)[N@@H+](CCC#N)C(C)C ZINC000595858121 348358413 /nfs/dbraw/zinc/35/84/13/348358413.db2.gz SRHJHMQIPDZLSG-HNNXBMFYSA-N 1 1 230.355 3.762 20 30 BHEDMO CC[C@H](c1ccccc1)[N@@H+](CCC#N)C(C)C ZINC000595858122 348358585 /nfs/dbraw/zinc/35/85/85/348358585.db2.gz SRHJHMQIPDZLSG-OAHLLOKOSA-N 1 1 230.355 3.762 20 30 BHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000595867049 348384591 /nfs/dbraw/zinc/38/45/91/348384591.db2.gz JZWJLLDDUMWKFF-QWHCGFSZSA-N 1 1 222.376 3.579 20 30 BHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000595868222 348384604 /nfs/dbraw/zinc/38/46/04/348384604.db2.gz UEWRCKBGENCQAF-UONOGXRCSA-N 1 1 236.403 3.969 20 30 BHEDMO N#CCCCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595868646 348385244 /nfs/dbraw/zinc/38/52/44/348385244.db2.gz XJMYJDKDGMAKJO-HNNXBMFYSA-N 1 1 234.387 3.725 20 30 BHEDMO N#CCCCC[N@H+]1CCCC[C@@H]1CC1CCC1 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/nfs/dbraw/zinc/38/78/64/348387864.db2.gz NFOQMFJWLPZGEU-HNNXBMFYSA-N 1 1 234.387 3.582 20 30 BHEDMO N#CCCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595878349 348387838 /nfs/dbraw/zinc/38/78/38/348387838.db2.gz NFOQMFJWLPZGEU-OAHLLOKOSA-N 1 1 234.387 3.582 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595880705 348387911 /nfs/dbraw/zinc/38/79/11/348387911.db2.gz NUQQPLIPMQCMJK-INIZCTEOSA-N 1 1 248.414 3.973 20 30 BHEDMO N#CCCCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595880706 348387885 /nfs/dbraw/zinc/38/78/85/348387885.db2.gz NUQQPLIPMQCMJK-MRXNPFEDSA-N 1 1 248.414 3.973 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000595880822 348387737 /nfs/dbraw/zinc/38/77/37/348387737.db2.gz PEFYOWQNWUGSJH-HNNXBMFYSA-N 1 1 246.398 3.582 20 30 BHEDMO N#CC1(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000595880831 348387878 /nfs/dbraw/zinc/38/78/78/348387878.db2.gz PEFYOWQNWUGSJH-OAHLLOKOSA-N 1 1 246.398 3.582 20 30 BHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CC1(C)C ZINC000595907594 348397377 /nfs/dbraw/zinc/39/73/77/348397377.db2.gz BONWHTBHOKDZSM-CYBMUJFWSA-N 1 1 236.403 3.684 20 30 BHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CC1(C)C ZINC000595907595 348397618 /nfs/dbraw/zinc/39/76/18/348397618.db2.gz BONWHTBHOKDZSM-ZDUSSCGKSA-N 1 1 236.403 3.684 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595910958 348398640 /nfs/dbraw/zinc/39/86/40/348398640.db2.gz VAEXFEWZAGWUBG-DOMZBBRYSA-N 1 1 242.366 3.597 20 30 BHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(C)C ZINC000595910960 348398739 /nfs/dbraw/zinc/39/87/39/348398739.db2.gz VAEXFEWZAGWUBG-IUODEOHRSA-N 1 1 242.366 3.597 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(C)C ZINC000595910962 348398846 /nfs/dbraw/zinc/39/88/46/348398846.db2.gz VAEXFEWZAGWUBG-SWLSCSKDSA-N 1 1 242.366 3.597 20 30 BHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595910964 348398921 /nfs/dbraw/zinc/39/89/21/348398921.db2.gz VAEXFEWZAGWUBG-WFASDCNBSA-N 1 1 242.366 3.597 20 30 BHEDMO 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BHEDMO C[C@H](CCC#N)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000602455804 349553459 /nfs/dbraw/zinc/55/34/59/349553459.db2.gz URRWLTFXDZFJIV-CHWSQXEVSA-N 1 1 246.354 3.745 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000602455813 349553321 /nfs/dbraw/zinc/55/33/21/349553321.db2.gz URRWLTFXDZFJIV-OLZOCXBDSA-N 1 1 246.354 3.745 20 30 BHEDMO C[C@H](c1ccco1)[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602455816 349553606 /nfs/dbraw/zinc/55/36/06/349553606.db2.gz URRWLTFXDZFJIV-QWHCGFSZSA-N 1 1 246.354 3.745 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000602455819 349553313 /nfs/dbraw/zinc/55/33/13/349553313.db2.gz URRWLTFXDZFJIV-STQMWFEESA-N 1 1 246.354 3.745 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000602459235 349554539 /nfs/dbraw/zinc/55/45/39/349554539.db2.gz RYGSFFXKKMUDLS-CABCVRRESA-N 1 1 244.382 3.662 20 30 BHEDMO C[C@@H](C[N@H+](C)C[C@@H](C)CCC#N)c1ccccc1 ZINC000602459236 349554775 /nfs/dbraw/zinc/55/47/75/349554775.db2.gz 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/nfs/dbraw/zinc/55/62/93/349556293.db2.gz LYUVTNBIBMKKNK-KGLIPLIRSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000602461798 349556602 /nfs/dbraw/zinc/55/66/02/349556602.db2.gz LYUVTNBIBMKKNK-UONOGXRCSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000602461799 349556795 /nfs/dbraw/zinc/55/67/95/349556795.db2.gz LYUVTNBIBMKKNK-ZIAGYGMSSA-N 1 1 242.366 3.546 20 30 BHEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](C)CCC#N)C1CC1 ZINC000602463414 349557615 /nfs/dbraw/zinc/55/76/15/349557615.db2.gz GCAJGEHPIGHOGV-HZSPNIEDSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602463442 349557250 /nfs/dbraw/zinc/55/72/50/349557250.db2.gz GCAJGEHPIGHOGV-IHRRRGAJSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602463443 349557290 /nfs/dbraw/zinc/55/72/90/349557290.db2.gz GCAJGEHPIGHOGV-MELADBBJSA-N 1 1 236.403 3.825 20 30 BHEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](C)CCC#N)C1CC1 ZINC000602463446 349557836 /nfs/dbraw/zinc/55/78/36/349557836.db2.gz GCAJGEHPIGHOGV-RDBSUJKOSA-N 1 1 236.403 3.825 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](C)CCC#N ZINC000602466673 349539789 /nfs/dbraw/zinc/53/97/89/349539789.db2.gz ZERGBUMUGPNTGO-AWEZNQCLSA-N 1 1 249.402 3.578 20 30 BHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](C)CCC#N ZINC000602466676 349540200 /nfs/dbraw/zinc/54/02/00/349540200.db2.gz ZERGBUMUGPNTGO-CQSZACIVSA-N 1 1 249.402 3.578 20 30 BHEDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602472443 349543288 /nfs/dbraw/zinc/54/32/88/349543288.db2.gz ICZBNUBPEVJINQ-KBPBESRZSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@H]1CCCCC[N@H+]1C[C@H](C)CCC#N ZINC000602472444 349543250 /nfs/dbraw/zinc/54/32/50/349543250.db2.gz ICZBNUBPEVJINQ-KGLIPLIRSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602472445 349542923 /nfs/dbraw/zinc/54/29/23/349542923.db2.gz ICZBNUBPEVJINQ-UONOGXRCSA-N 1 1 222.376 3.581 20 30 BHEDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](C)CCC#N ZINC000602472446 349542580 /nfs/dbraw/zinc/54/25/80/349542580.db2.gz ICZBNUBPEVJINQ-ZIAGYGMSSA-N 1 1 222.376 3.581 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000602473178 349544489 /nfs/dbraw/zinc/54/44/89/349544489.db2.gz JYMADWIEYOXUCF-CYBMUJFWSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000602473180 349543883 /nfs/dbraw/zinc/54/38/83/349543883.db2.gz JYMADWIEYOXUCF-ZDUSSCGKSA-N 1 1 236.403 3.827 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000602473529 349544119 /nfs/dbraw/zinc/54/41/19/349544119.db2.gz OJIDHZNFSBENRK-APIJFGDWSA-N 1 1 234.387 3.579 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000602473530 349543866 /nfs/dbraw/zinc/54/38/66/349543866.db2.gz OJIDHZNFSBENRK-KBUPBQIOSA-N 1 1 234.387 3.579 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000602473531 349543833 /nfs/dbraw/zinc/54/38/33/349543833.db2.gz OJIDHZNFSBENRK-KBXIAJHMSA-N 1 1 234.387 3.579 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000602473532 349544154 /nfs/dbraw/zinc/54/41/54/349544154.db2.gz OJIDHZNFSBENRK-TUVASFSCSA-N 1 1 234.387 3.579 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000602474750 349562255 /nfs/dbraw/zinc/56/22/55/349562255.db2.gz ZXYUQUUNYFZNPL-CVEARBPZSA-N 1 1 246.398 3.749 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000602474752 349561906 /nfs/dbraw/zinc/56/19/06/349561906.db2.gz ZXYUQUUNYFZNPL-HOTGVXAUSA-N 1 1 246.398 3.749 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000602474755 349562117 /nfs/dbraw/zinc/56/21/17/349562117.db2.gz ZXYUQUUNYFZNPL-HZPDHXFCSA-N 1 1 246.398 3.749 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000602474757 349562587 /nfs/dbraw/zinc/56/25/87/349562587.db2.gz ZXYUQUUNYFZNPL-JKSUJKDBSA-N 1 1 246.398 3.749 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCC2(C1)CCCCC2 ZINC000602474975 349563634 /nfs/dbraw/zinc/56/36/34/349563634.db2.gz KCBKEDWCIGGDLW-AWEZNQCLSA-N 1 1 234.387 3.582 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCC2(C1)CCCCC2 ZINC000602474977 349563405 /nfs/dbraw/zinc/56/34/05/349563405.db2.gz KCBKEDWCIGGDLW-CQSZACIVSA-N 1 1 234.387 3.582 20 30 BHEDMO C=CCCCCC[N@H+](C)C[C@@H](C)CCC#N ZINC000602476680 349563322 /nfs/dbraw/zinc/56/33/22/349563322.db2.gz ZEBYUXDQTBSNJW-AWEZNQCLSA-N 1 1 222.376 3.604 20 30 BHEDMO C=CCCCCC[N@H+](C)C[C@H](C)CCC#N ZINC000602476681 349562830 /nfs/dbraw/zinc/56/28/30/349562830.db2.gz ZEBYUXDQTBSNJW-CQSZACIVSA-N 1 1 222.376 3.604 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000602483614 349566107 /nfs/dbraw/zinc/56/61/07/349566107.db2.gz NCBDXGNCWLPTQS-FMKPAKJESA-N 1 1 242.366 3.619 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000602483616 349566524 /nfs/dbraw/zinc/56/65/24/349566524.db2.gz NCBDXGNCWLPTQS-IIAWOOMASA-N 1 1 242.366 3.619 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000602483617 349566227 /nfs/dbraw/zinc/56/62/27/349566227.db2.gz NCBDXGNCWLPTQS-IJEWVQPXSA-N 1 1 242.366 3.619 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000602483618 349566401 /nfs/dbraw/zinc/56/64/01/349566401.db2.gz NCBDXGNCWLPTQS-YCPHGPKFSA-N 1 1 242.366 3.619 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC12CCCCC2 ZINC000602483862 349566282 /nfs/dbraw/zinc/56/62/82/349566282.db2.gz JFTMESRBQVDXBQ-AWEZNQCLSA-N 1 1 234.387 3.725 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCCC12CCCCC2 ZINC000602483864 349566549 /nfs/dbraw/zinc/56/65/49/349566549.db2.gz JFTMESRBQVDXBQ-CQSZACIVSA-N 1 1 234.387 3.725 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602485011 349567476 /nfs/dbraw/zinc/56/74/76/349567476.db2.gz MBZKOXVJIKXLDX-DOMZBBRYSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602485012 349567323 /nfs/dbraw/zinc/56/73/23/349567323.db2.gz MBZKOXVJIKXLDX-IUODEOHRSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602485013 349567502 /nfs/dbraw/zinc/56/75/02/349567502.db2.gz MBZKOXVJIKXLDX-SWLSCSKDSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602485014 349567508 /nfs/dbraw/zinc/56/75/08/349567508.db2.gz MBZKOXVJIKXLDX-WFASDCNBSA-N 1 1 246.329 3.512 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000602492269 349572182 /nfs/dbraw/zinc/57/21/82/349572182.db2.gz FQSQHNPUWUPMPG-CYBMUJFWSA-N 1 1 234.387 3.604 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000602492270 349571794 /nfs/dbraw/zinc/57/17/94/349571794.db2.gz FQSQHNPUWUPMPG-ZDUSSCGKSA-N 1 1 234.387 3.604 20 30 BHEDMO C[C@H](CCC#N)CNc1cccc2cc[nH+]cc21 ZINC000602587611 349612196 /nfs/dbraw/zinc/61/21/96/349612196.db2.gz IISDYUGARRCKKX-GFCCVEGCSA-N 1 1 239.322 3.587 20 30 BHEDMO C[C@@H](CCC#N)CNc1cccc2cc[nH+]cc21 ZINC000602587613 349612181 /nfs/dbraw/zinc/61/21/81/349612181.db2.gz IISDYUGARRCKKX-LBPRGKRZSA-N 1 1 239.322 3.587 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602613106 349636430 /nfs/dbraw/zinc/63/64/30/349636430.db2.gz OXZNMLGALXYNHZ-KBPBESRZSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[C@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000602613107 349636267 /nfs/dbraw/zinc/63/62/67/349636267.db2.gz OXZNMLGALXYNHZ-KGLIPLIRSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602613108 349636875 /nfs/dbraw/zinc/63/68/75/349636875.db2.gz OXZNMLGALXYNHZ-UONOGXRCSA-N 1 1 222.376 3.581 20 30 BHEDMO CCC[C@@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000602613109 349636354 /nfs/dbraw/zinc/63/63/54/349636354.db2.gz OXZNMLGALXYNHZ-ZIAGYGMSSA-N 1 1 222.376 3.581 20 30 BHEDMO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)CCC#N ZINC000602628992 349665235 /nfs/dbraw/zinc/66/52/35/349665235.db2.gz CLXIVUMQYKBKNI-GFCCVEGCSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)CCC#N ZINC000602628993 349665003 /nfs/dbraw/zinc/66/50/03/349665003.db2.gz CLXIVUMQYKBKNI-LBPRGKRZSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(C)cc(C[N@H+](C)C[C@H](C)CCC#N)c1 ZINC000602631254 349648277 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1 1 217.356 3.688 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)c1ccccc1 ZINC000604883998 350196170 /nfs/dbraw/zinc/19/61/70/350196170.db2.gz VQFFXPNEZPZPAL-CQSZACIVSA-N 1 1 217.356 3.688 20 30 BHEDMO C=CCCC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000605149610 350258123 /nfs/dbraw/zinc/25/81/23/350258123.db2.gz CQDLUBDFKRYBRP-UHFFFAOYSA-N 1 1 247.382 3.580 20 30 BHEDMO C=CCCC[N@H+](CCC)Cc1ccccc1 ZINC000605149613 350258255 /nfs/dbraw/zinc/25/82/55/350258255.db2.gz DEVYIUINSBWKIQ-UHFFFAOYSA-N 1 1 217.356 3.865 20 30 BHEDMO C=CCCC[N@H+]1CCc2sccc2[C@H]1C ZINC000605149622 350258340 /nfs/dbraw/zinc/25/83/40/350258340.db2.gz GGCDYWDMXXTQRC-LLVKDONJSA-N 1 1 221.369 3.633 20 30 BHEDMO C=CCCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000605149623 350258237 /nfs/dbraw/zinc/25/82/37/350258237.db2.gz GGCDYWDMXXTQRC-NSHDSACASA-N 1 1 221.369 3.633 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(CC)cc1 ZINC000605149628 350258479 /nfs/dbraw/zinc/25/84/79/350258479.db2.gz GTEUGMKCMSEXER-UHFFFAOYSA-N 1 1 217.356 3.647 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccccc1Cl ZINC000605149630 350258076 /nfs/dbraw/zinc/25/80/76/350258076.db2.gz HCIBSMBHCSZDCW-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000605149632 350258430 /nfs/dbraw/zinc/25/84/30/350258430.db2.gz HTIYXWBZNMQRIW-GFCCVEGCSA-N 1 1 221.369 3.851 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000605149633 350258415 /nfs/dbraw/zinc/25/84/15/350258415.db2.gz HTIYXWBZNMQRIW-LBPRGKRZSA-N 1 1 221.369 3.851 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000605149646 350258563 /nfs/dbraw/zinc/25/85/63/350258563.db2.gz JQLZEPLLWQKXLI-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000605149673 350258731 /nfs/dbraw/zinc/25/87/31/350258731.db2.gz PHAGMTWGXFNLJB-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000605149684 350258523 /nfs/dbraw/zinc/25/85/23/350258523.db2.gz RXGVLAQSFZBLKB-INIZCTEOSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000605149685 350258641 /nfs/dbraw/zinc/25/86/41/350258641.db2.gz RXGVLAQSFZBLKB-MRXNPFEDSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@@H+](CC=C)Cc1cccs1 ZINC000605149692 350258192 /nfs/dbraw/zinc/25/81/92/350258192.db2.gz SXJZQXDYKBDYMT-UHFFFAOYSA-N 1 1 221.369 3.702 20 30 BHEDMO C=CCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000605149697 350258131 /nfs/dbraw/zinc/25/81/31/350258131.db2.gz ULYGHXYWRKCFGE-UHFFFAOYSA-N 1 1 233.330 3.756 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000605149698 350258167 /nfs/dbraw/zinc/25/81/67/350258167.db2.gz UOXGMGOXPCCBIP-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000605149699 350258499 /nfs/dbraw/zinc/25/84/99/350258499.db2.gz UOXGMGOXPCCBIP-MRXNPFEDSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000605149713 350258658 /nfs/dbraw/zinc/25/86/58/350258658.db2.gz YARHVPMOTASIHP-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000605149722 350258301 /nfs/dbraw/zinc/25/83/01/350258301.db2.gz CFHAUTXJBFWNQY-INIZCTEOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000605149723 350258589 /nfs/dbraw/zinc/25/85/89/350258589.db2.gz CFHAUTXJBFWNQY-MRXNPFEDSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000605149728 350258396 /nfs/dbraw/zinc/25/83/96/350258396.db2.gz CMHBZWYHTNYYEQ-GFCCVEGCSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000605149729 350258403 /nfs/dbraw/zinc/25/84/03/350258403.db2.gz CMHBZWYHTNYYEQ-LBPRGKRZSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000605149740 350258206 /nfs/dbraw/zinc/25/82/06/350258206.db2.gz FTNVPQRNJVMDLA-UHFFFAOYSA-N 1 1 215.340 3.617 20 30 BHEDMO C=CCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000605149741 350258531 /nfs/dbraw/zinc/25/85/31/350258531.db2.gz GFFONBMTEJDXRU-UHFFFAOYSA-N 1 1 217.356 3.863 20 30 BHEDMO C=CCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000605149776 350258600 /nfs/dbraw/zinc/25/86/00/350258600.db2.gz OQGVFZFRBSTIOJ-UHFFFAOYSA-N 1 1 245.341 3.881 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000605149789 350258705 /nfs/dbraw/zinc/25/87/05/350258705.db2.gz RYRIURXVYWZBFI-HNNXBMFYSA-N 1 1 215.340 3.790 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000605149790 350258310 /nfs/dbraw/zinc/25/83/10/350258310.db2.gz RYRIURXVYWZBFI-OAHLLOKOSA-N 1 1 215.340 3.790 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000605149803 350259407 /nfs/dbraw/zinc/25/94/07/350259407.db2.gz UXQOOOXHWXAGCS-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000605149804 350259354 /nfs/dbraw/zinc/25/93/54/350259354.db2.gz UXQOOOXHWXAGCS-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=CCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000605149807 350259262 /nfs/dbraw/zinc/25/92/62/350259262.db2.gz VNJVMUKFVFMTCO-HNNXBMFYSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000605149808 350259451 /nfs/dbraw/zinc/25/94/51/350259451.db2.gz VNJVMUKFVFMTCO-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000605149823 350259336 /nfs/dbraw/zinc/25/93/36/350259336.db2.gz YRQPAJNGTWZYEK-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000605149824 350259488 /nfs/dbraw/zinc/25/94/88/350259488.db2.gz YRQPAJNGTWZYEK-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CCCC[N@H+](CC)CCc1ccccc1 ZINC000605149844 350258883 /nfs/dbraw/zinc/25/88/83/350258883.db2.gz CKHSGCXRELXXQN-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=CCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000605149900 350259386 /nfs/dbraw/zinc/25/93/86/350259386.db2.gz MVUTVUUJROFFKP-UHFFFAOYSA-N 1 1 207.361 3.750 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000605149913 350258992 /nfs/dbraw/zinc/25/89/92/350258992.db2.gz PLOFNWNIFJEXBI-INIZCTEOSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000605149914 350259239 /nfs/dbraw/zinc/25/92/39/350259239.db2.gz PLOFNWNIFJEXBI-MRXNPFEDSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@@H+](C)CCCCc1ccccc1 ZINC000605149944 350259047 /nfs/dbraw/zinc/25/90/47/350259047.db2.gz SYGAMXITHIRLJZ-UHFFFAOYSA-N 1 1 231.383 3.907 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000605149957 350258920 /nfs/dbraw/zinc/25/89/20/350258920.db2.gz WJNWDIVSGBBSDP-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000605149958 350259579 /nfs/dbraw/zinc/25/95/79/350259579.db2.gz WJNWDIVSGBBSDP-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccccc1C ZINC000605149964 350258862 /nfs/dbraw/zinc/25/88/62/350258862.db2.gz WRUFXEVRJXFNDQ-UHFFFAOYSA-N 1 1 217.356 3.783 20 30 BHEDMO C=CCCC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000605149970 350259396 /nfs/dbraw/zinc/25/93/96/350259396.db2.gz YMIFIWBHGYBLPM-UHFFFAOYSA-N 1 1 219.328 3.519 20 30 BHEDMO C=CCCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000605149976 350258892 /nfs/dbraw/zinc/25/88/92/350258892.db2.gz ABDTWAHFJZVKDS-UHFFFAOYSA-N 1 1 221.388 3.997 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000605149988 350258983 /nfs/dbraw/zinc/25/89/83/350258983.db2.gz BQBWAKXSSXKFJU-HNNXBMFYSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000605149989 350258954 /nfs/dbraw/zinc/25/89/54/350258954.db2.gz BQBWAKXSSXKFJU-OAHLLOKOSA-N 1 1 233.330 3.929 20 30 BHEDMO C=CCCC[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC000605149990 350259474 /nfs/dbraw/zinc/25/94/74/350259474.db2.gz BQWLDIIRPZBVFI-UHFFFAOYSA-N 1 1 245.366 3.649 20 30 BHEDMO C=CCCC[N@@H+](C)CCCOc1ccccc1C ZINC000605150010 350259550 /nfs/dbraw/zinc/25/95/50/350259550.db2.gz DORJRBMASSDZAE-UHFFFAOYSA-N 1 1 247.382 3.662 20 30 BHEDMO C=CCCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000605150012 350259252 /nfs/dbraw/zinc/25/92/52/350259252.db2.gz DWTJYSRUQCPJFA-UHFFFAOYSA-N 1 1 221.388 3.996 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000605150033 350259481 /nfs/dbraw/zinc/25/94/81/350259481.db2.gz GIAQFNMPUWOHCF-AWEZNQCLSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000605150034 350258932 /nfs/dbraw/zinc/25/89/32/350258932.db2.gz GIAQFNMPUWOHCF-CQSZACIVSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCCC[N@H+](Cc1ccccc1OC)C1CC1 ZINC000605150038 350259570 /nfs/dbraw/zinc/25/95/70/350259570.db2.gz HGEQUWWEXTXOIK-UHFFFAOYSA-N 1 1 245.366 3.626 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000605150076 350259466 /nfs/dbraw/zinc/25/94/66/350259466.db2.gz NKMSFVZASOOTGH-LLVKDONJSA-N 1 1 239.309 3.924 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000605150077 350259412 /nfs/dbraw/zinc/25/94/12/350259412.db2.gz NKMSFVZASOOTGH-NSHDSACASA-N 1 1 239.309 3.924 20 30 BHEDMO C=CCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000605150082 350259122 /nfs/dbraw/zinc/25/91/22/350259122.db2.gz OFQPIGRJEPGAAH-UHFFFAOYSA-N 1 1 233.355 3.990 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000605150092 350259174 /nfs/dbraw/zinc/25/91/74/350259174.db2.gz PPDGDVFLLCIFRR-AWEZNQCLSA-N 1 1 217.356 3.954 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000605150093 350259447 /nfs/dbraw/zinc/25/94/47/350259447.db2.gz PPDGDVFLLCIFRR-CQSZACIVSA-N 1 1 217.356 3.954 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000605150106 350260368 /nfs/dbraw/zinc/26/03/68/350260368.db2.gz RDWBTGNUIXMSQG-INIZCTEOSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000605150107 350260129 /nfs/dbraw/zinc/26/01/29/350260129.db2.gz RDWBTGNUIXMSQG-MRXNPFEDSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@H+](CC)CCc1cccs1 ZINC000605150167 350260467 /nfs/dbraw/zinc/26/04/67/350260467.db2.gz DRJZRGUJZLXOME-UHFFFAOYSA-N 1 1 223.385 3.579 20 30 BHEDMO C=CCCC[N@H+](CC=C)CCc1ccccc1 ZINC000605150213 350260324 /nfs/dbraw/zinc/26/03/24/350260324.db2.gz KZPVFZKEJRNZLG-UHFFFAOYSA-N 1 1 229.367 3.683 20 30 BHEDMO C=CCCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000605150214 350260135 /nfs/dbraw/zinc/26/01/35/350260135.db2.gz KZQFEQXOKNTVON-UHFFFAOYSA-N 1 1 247.382 3.873 20 30 BHEDMO C=CCCC[N@H+](CC(C)C)C1CCCC1 ZINC000605150248 350260533 /nfs/dbraw/zinc/26/05/33/350260533.db2.gz RUKNQZUBGMITHB-UHFFFAOYSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000605150260 350260003 /nfs/dbraw/zinc/26/00/03/350260003.db2.gz UEHIFGHMGKVFBI-CYBMUJFWSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000605150261 350260375 /nfs/dbraw/zinc/26/03/75/350260375.db2.gz UEHIFGHMGKVFBI-ZDUSSCGKSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000605150308 350260460 /nfs/dbraw/zinc/26/04/60/350260460.db2.gz FRMKTNNAMSETNX-UHFFFAOYSA-N 1 1 221.388 3.997 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000605150313 350260149 /nfs/dbraw/zinc/26/01/49/350260149.db2.gz HDSKLSGVTHBBSA-UHFFFAOYSA-N 1 1 239.309 3.753 20 30 BHEDMO C=CCCC[N@H+](C)CCC1CCCCC1 ZINC000605150322 350260178 /nfs/dbraw/zinc/26/01/78/350260178.db2.gz ICAHRCVQRDGRAG-UHFFFAOYSA-N 1 1 209.377 3.855 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000605150352 350260172 /nfs/dbraw/zinc/26/01/72/350260172.db2.gz MXAQELFJVPYYQA-UHFFFAOYSA-N 1 1 247.382 3.710 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000605150362 350259996 /nfs/dbraw/zinc/25/99/96/350259996.db2.gz OJYZRUPVVHCTKT-HNNXBMFYSA-N 1 1 229.367 3.751 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000605150363 350260538 /nfs/dbraw/zinc/26/05/38/350260538.db2.gz OJYZRUPVVHCTKT-OAHLLOKOSA-N 1 1 229.367 3.751 20 30 BHEDMO C=CCCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000605150375 350260338 /nfs/dbraw/zinc/26/03/38/350260338.db2.gz PSMOIIWLMIHUFF-AWEZNQCLSA-N 1 1 217.356 3.688 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000605150376 350260306 /nfs/dbraw/zinc/26/03/06/350260306.db2.gz PSMOIIWLMIHUFF-CQSZACIVSA-N 1 1 217.356 3.688 20 30 BHEDMO C=CCCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000605150583 350261166 /nfs/dbraw/zinc/26/11/66/350261166.db2.gz BKDYWMMISZBWHO-CHWSQXEVSA-N 1 1 209.377 3.852 20 30 BHEDMO C=CCCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000605150584 350261545 /nfs/dbraw/zinc/26/15/45/350261545.db2.gz BKDYWMMISZBWHO-OLZOCXBDSA-N 1 1 209.377 3.852 20 30 BHEDMO C=CCCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000605150585 350261582 /nfs/dbraw/zinc/26/15/82/350261582.db2.gz BKDYWMMISZBWHO-QWHCGFSZSA-N 1 1 209.377 3.852 20 30 BHEDMO C=CCCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000605150586 350261268 /nfs/dbraw/zinc/26/12/68/350261268.db2.gz BKDYWMMISZBWHO-STQMWFEESA-N 1 1 209.377 3.852 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000605150808 350261242 /nfs/dbraw/zinc/26/12/42/350261242.db2.gz GXXZIVROONIMOU-UHFFFAOYSA-N 1 1 241.737 3.877 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000605150842 350261531 /nfs/dbraw/zinc/26/15/31/350261531.db2.gz MHHGHHSWQMJFNI-KRWDZBQOSA-N 1 1 243.394 3.907 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000605150843 350261334 /nfs/dbraw/zinc/26/13/34/350261334.db2.gz MHHGHHSWQMJFNI-QGZVFWFLSA-N 1 1 243.394 3.907 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000605150899 350261964 /nfs/dbraw/zinc/26/19/64/350261964.db2.gz AETOIEWLIUPOJJ-KRWDZBQOSA-N 1 1 243.394 3.968 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000605150900 350262048 /nfs/dbraw/zinc/26/20/48/350262048.db2.gz AETOIEWLIUPOJJ-QGZVFWFLSA-N 1 1 243.394 3.968 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000605150908 350262400 /nfs/dbraw/zinc/26/24/00/350262400.db2.gz BGSYDHLOFYNZDZ-KKUMJFAQSA-N 1 1 221.388 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000605150909 350261986 /nfs/dbraw/zinc/26/19/86/350261986.db2.gz BGSYDHLOFYNZDZ-RRFJBIMHSA-N 1 1 221.388 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000605150910 350262408 /nfs/dbraw/zinc/26/24/08/350262408.db2.gz BGSYDHLOFYNZDZ-SOUVJXGZSA-N 1 1 221.388 3.853 20 30 BHEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000605150911 350262378 /nfs/dbraw/zinc/26/23/78/350262378.db2.gz BGSYDHLOFYNZDZ-ZNMIVQPWSA-N 1 1 221.388 3.853 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000605150927 350262497 /nfs/dbraw/zinc/26/24/97/350262497.db2.gz FYWGQVHBZHPBKK-HNNXBMFYSA-N 1 1 219.372 3.775 20 30 BHEDMO C=CCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000605150928 350262461 /nfs/dbraw/zinc/26/24/61/350262461.db2.gz FYWGQVHBZHPBKK-OAHLLOKOSA-N 1 1 219.372 3.775 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000605150955 350261882 /nfs/dbraw/zinc/26/18/82/350261882.db2.gz JPFPYHXERCLAON-KRWDZBQOSA-N 1 1 243.394 3.968 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000605150956 350262248 /nfs/dbraw/zinc/26/22/48/350262248.db2.gz JPFPYHXERCLAON-QGZVFWFLSA-N 1 1 243.394 3.968 20 30 BHEDMO C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000605150973 350262182 /nfs/dbraw/zinc/26/21/82/350262182.db2.gz NQJTXDQJJGDIGZ-INIZCTEOSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@H+]1CCc2ccccc2[C@H]1CC ZINC000605150974 350262447 /nfs/dbraw/zinc/26/24/47/350262447.db2.gz NQJTXDQJJGDIGZ-MRXNPFEDSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000605150978 350262118 /nfs/dbraw/zinc/26/21/18/350262118.db2.gz OPHSOIDGKKVBOM-GDBMZVCRSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000605150979 350262492 /nfs/dbraw/zinc/26/24/92/350262492.db2.gz OPHSOIDGKKVBOM-GOEBONIOSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000605150980 350261939 /nfs/dbraw/zinc/26/19/39/350261939.db2.gz OPHSOIDGKKVBOM-HOCLYGCPSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000605150981 350262007 /nfs/dbraw/zinc/26/20/07/350262007.db2.gz OPHSOIDGKKVBOM-ZBFHGGJFSA-N 1 1 229.367 3.831 20 30 BHEDMO C=CCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000605150990 350261957 /nfs/dbraw/zinc/26/19/57/350261957.db2.gz QKXSBIFRIYUKFL-HNNXBMFYSA-N 1 1 247.407 3.743 20 30 BHEDMO C=CCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000605150991 350262424 /nfs/dbraw/zinc/26/24/24/350262424.db2.gz QKXSBIFRIYUKFL-OAHLLOKOSA-N 1 1 247.407 3.743 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000605150994 350262436 /nfs/dbraw/zinc/26/24/36/350262436.db2.gz RHIYREZFIAGJFJ-AWEZNQCLSA-N 1 1 209.377 3.711 20 30 BHEDMO C=CCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000605150995 350262482 /nfs/dbraw/zinc/26/24/82/350262482.db2.gz RHIYREZFIAGJFJ-CQSZACIVSA-N 1 1 209.377 3.711 20 30 BHEDMO C=CCCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000605150998 350262100 /nfs/dbraw/zinc/26/21/00/350262100.db2.gz RWTCCDDTAJHBGO-UHFFFAOYSA-N 1 1 247.357 3.799 20 30 BHEDMO C=CCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605154430 350264491 /nfs/dbraw/zinc/26/44/91/350264491.db2.gz QSGLUOYQRPPNDB-HNNXBMFYSA-N 1 1 247.407 3.743 20 30 BHEDMO C=CCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154431 350264519 /nfs/dbraw/zinc/26/45/19/350264519.db2.gz QSGLUOYQRPPNDB-OAHLLOKOSA-N 1 1 247.407 3.743 20 30 BHEDMO C=CCCC[N@H+](C)CCc1ccccc1Cl ZINC000605737753 347431670 /nfs/dbraw/zinc/43/16/70/347431670.db2.gz WVLDEEUUXZYNIO-UHFFFAOYSA-N 1 1 237.774 3.781 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccccc1OC(C)C ZINC000605738749 347432624 /nfs/dbraw/zinc/43/26/24/347432624.db2.gz FNTAUDPRVMXSPE-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000605738763 347432553 /nfs/dbraw/zinc/43/25/53/347432553.db2.gz PEJVFKALLJJVFC-UHFFFAOYSA-N 1 1 247.382 3.872 20 30 BHEDMO C=CCCC[N@H+](C)CCc1ccc(CC)cc1 ZINC000605738778 347432461 /nfs/dbraw/zinc/43/24/61/347432461.db2.gz URTVBAKERSZAKL-UHFFFAOYSA-N 1 1 231.383 3.690 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000605738792 347432665 /nfs/dbraw/zinc/43/26/65/347432665.db2.gz XRDAXMCFMZUMCL-UHFFFAOYSA-N 1 1 229.367 3.573 20 30 BHEDMO C=CCCC[N@H+](C)CCSc1ccccc1 ZINC000605738798 347432688 /nfs/dbraw/zinc/43/26/88/347432688.db2.gz ZTYRYHDKXSQXKS-UHFFFAOYSA-N 1 1 235.396 3.677 20 30 BHEDMO C=CCCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000605740666 347433508 /nfs/dbraw/zinc/43/35/08/347433508.db2.gz FHCGKSILTFUDSZ-UHFFFAOYSA-N 1 1 247.382 3.580 20 30 BHEDMO C=CCCC[N@H+](C)Cc1cc(C)ccc1C ZINC000605740718 347433275 /nfs/dbraw/zinc/43/32/75/347433275.db2.gz UVZYNWBTMRNQDO-UHFFFAOYSA-N 1 1 217.356 3.701 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605768415 347442424 /nfs/dbraw/zinc/44/24/24/347442424.db2.gz MSUJUDOGQKSERK-DZGCQCFKSA-N 1 1 247.357 3.970 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000605768417 347442487 /nfs/dbraw/zinc/44/24/87/347442487.db2.gz MSUJUDOGQKSERK-HIFRSBDPSA-N 1 1 247.357 3.970 20 30 BHEDMO C=CCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000605768419 347442467 /nfs/dbraw/zinc/44/24/67/347442467.db2.gz MSUJUDOGQKSERK-UKRRQHHQSA-N 1 1 247.357 3.970 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000605768420 347442391 /nfs/dbraw/zinc/44/23/91/347442391.db2.gz MSUJUDOGQKSERK-ZFWWWQNUSA-N 1 1 247.357 3.970 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606447031 350333521 /nfs/dbraw/zinc/33/35/21/350333521.db2.gz AEUFBIAVOJMKAV-HNNXBMFYSA-N 1 1 231.383 3.824 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606447032 350333646 /nfs/dbraw/zinc/33/36/46/350333646.db2.gz AEUFBIAVOJMKAV-OAHLLOKOSA-N 1 1 231.383 3.824 20 30 BHEDMO C=CCCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606448755 350338184 /nfs/dbraw/zinc/33/81/84/350338184.db2.gz GEJPIOMQXVLOOL-GFCCVEGCSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448756 350338674 /nfs/dbraw/zinc/33/86/74/350338674.db2.gz GEJPIOMQXVLOOL-LBPRGKRZSA-N 1 1 233.330 3.711 20 30 BHEDMO C=CCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000606895931 350621546 /nfs/dbraw/zinc/62/15/46/350621546.db2.gz GSCGJEFLFOJHNJ-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCC[N@@H+](C)CCCCc1ccccc1 ZINC000606895940 350621552 /nfs/dbraw/zinc/62/15/52/350621552.db2.gz HMNCJDWJSBFZHF-UHFFFAOYSA-N 1 1 217.356 3.517 20 30 BHEDMO C=CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000606895950 350621530 /nfs/dbraw/zinc/62/15/30/350621530.db2.gz IKQVVJQSHHGCHE-UHFFFAOYSA-N 1 1 225.335 3.848 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000606895957 350621194 /nfs/dbraw/zinc/62/11/94/350621194.db2.gz KHNLGUUBOFJTOO-LLVKDONJSA-N 1 1 223.747 3.909 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000606895958 350621417 /nfs/dbraw/zinc/62/14/17/350621417.db2.gz KHNLGUUBOFJTOO-NSHDSACASA-N 1 1 223.747 3.909 20 30 BHEDMO C=CCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000606896102 350621459 /nfs/dbraw/zinc/62/14/59/350621459.db2.gz VAOJOEMUKJHSBY-UHFFFAOYSA-N 1 1 235.758 3.881 20 30 BHEDMO C=CCC[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000606896106 350621182 /nfs/dbraw/zinc/62/11/82/350621182.db2.gz WDQIYKKEIVRKKL-UHFFFAOYSA-N 1 1 229.367 3.790 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000606896116 350621350 /nfs/dbraw/zinc/62/13/50/350621350.db2.gz XUXYDBAXUJANIZ-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000606896117 350621287 /nfs/dbraw/zinc/62/12/87/350621287.db2.gz XUXYDBAXUJANIZ-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000606896118 350621229 /nfs/dbraw/zinc/62/12/29/350621229.db2.gz XUYCDYBGXJQJFO-UHFFFAOYSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000606896277 350621669 /nfs/dbraw/zinc/62/16/69/350621669.db2.gz GIXWQPRLGGMBPZ-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000606896278 350621797 /nfs/dbraw/zinc/62/17/97/350621797.db2.gz GIXWQPRLGGMBPZ-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000606896365 350621755 /nfs/dbraw/zinc/62/17/55/350621755.db2.gz JIVNCDQURJQKID-UHFFFAOYSA-N 1 1 241.787 3.966 20 30 BHEDMO C=CCC[N@H+](CC)Cc1ccc(Cl)s1 ZINC000606896434 350621785 /nfs/dbraw/zinc/62/17/85/350621785.db2.gz OTHCOWRCPXYCKI-UHFFFAOYSA-N 1 1 229.776 3.800 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000606896525 350621201 /nfs/dbraw/zinc/62/12/01/350621201.db2.gz YEXXIWCDNOOWIC-HNNXBMFYSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000606896526 350621189 /nfs/dbraw/zinc/62/11/89/350621189.db2.gz YEXXIWCDNOOWIC-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000606897028 350621584 /nfs/dbraw/zinc/62/15/84/350621584.db2.gz HBQNXUNRYGJIPU-AWEZNQCLSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000606897029 350621575 /nfs/dbraw/zinc/62/15/75/350621575.db2.gz HBQNXUNRYGJIPU-CQSZACIVSA-N 1 1 221.319 3.785 20 30 BHEDMO C=CCC[N@@H+](CCc1ccccc1)CC(C)C ZINC000606897036 350621678 /nfs/dbraw/zinc/62/16/78/350621678.db2.gz HUGDRUKDOMFPDW-UHFFFAOYSA-N 1 1 231.383 3.763 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000606897095 350621215 /nfs/dbraw/zinc/62/12/15/350621215.db2.gz QPNCOZYOARYPAJ-CYBMUJFWSA-N 1 1 203.329 3.564 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000606897102 350621712 /nfs/dbraw/zinc/62/17/12/350621712.db2.gz QPNCOZYOARYPAJ-ZDUSSCGKSA-N 1 1 203.329 3.564 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000606897105 350622501 /nfs/dbraw/zinc/62/25/01/350622501.db2.gz RCGGJRCKCPJNSY-AWEZNQCLSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC000606897106 350622735 /nfs/dbraw/zinc/62/27/35/350622735.db2.gz RCGGJRCKCPJNSY-CQSZACIVSA-N 1 1 203.329 3.646 20 30 BHEDMO C=CCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000606897132 350622647 /nfs/dbraw/zinc/62/26/47/350622647.db2.gz FMQLGXRFGQJHMW-UHFFFAOYSA-N 1 1 235.758 3.664 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000606897149 350622150 /nfs/dbraw/zinc/62/21/50/350622150.db2.gz VHUJEBSZVYLGPK-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000606897150 350622638 /nfs/dbraw/zinc/62/26/38/350622638.db2.gz VHUJEBSZVYLGPK-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CCC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000606897162 350622399 /nfs/dbraw/zinc/62/23/99/350622399.db2.gz XPZRMZSMWROXPX-AWEZNQCLSA-N 1 1 217.356 3.516 20 30 BHEDMO C=CCC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000606897163 350622342 /nfs/dbraw/zinc/62/23/42/350622342.db2.gz XPZRMZSMWROXPX-CQSZACIVSA-N 1 1 217.356 3.516 20 30 BHEDMO C=CCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000606897168 350622551 /nfs/dbraw/zinc/62/25/51/350622551.db2.gz YGEVRTZJIFPPGK-UHFFFAOYSA-N 1 1 217.356 3.620 20 30 BHEDMO C=CCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000606897173 350622856 /nfs/dbraw/zinc/62/28/56/350622856.db2.gz ZIWVWODZJSRWHP-UHFFFAOYSA-N 1 1 223.747 3.738 20 30 BHEDMO C=CCC[N@H+](CCCC)C1CCCCC1 ZINC000606897286 350622414 /nfs/dbraw/zinc/62/24/14/350622414.db2.gz FTXSLGRHEZYMJT-UHFFFAOYSA-N 1 1 209.377 3.997 20 30 BHEDMO C=CCC[N@H+](CCC(C)C)C1CCCC1 ZINC000606897300 350622693 /nfs/dbraw/zinc/62/26/93/350622693.db2.gz ILHVRDAEUHCEDZ-UHFFFAOYSA-N 1 1 209.377 3.853 20 30 BHEDMO C=CCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000606897320 350622280 /nfs/dbraw/zinc/62/22/80/350622280.db2.gz NCLKSHTZRWLFDD-UHFFFAOYSA-N 1 1 217.356 3.721 20 30 BHEDMO C=CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000606897355 350622473 /nfs/dbraw/zinc/62/24/73/350622473.db2.gz BIRODHNQCHEGMH-CYBMUJFWSA-N 1 1 235.758 3.705 20 30 BHEDMO C=CCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000606897356 350622580 /nfs/dbraw/zinc/62/25/80/350622580.db2.gz BIRODHNQCHEGMH-ZDUSSCGKSA-N 1 1 235.758 3.705 20 30 BHEDMO C=CCC[N@@H+](CC=C)CC1CCCCC1 ZINC000606897357 350622479 /nfs/dbraw/zinc/62/24/79/350622479.db2.gz BVAZFSSNUCFVDX-UHFFFAOYSA-N 1 1 207.361 3.631 20 30 BHEDMO C=CCC[N@H+](C)CCc1cccc2ccccc21 ZINC000606897361 350622237 /nfs/dbraw/zinc/62/22/37/350622237.db2.gz RPYHYUCHCQGJCG-UHFFFAOYSA-N 1 1 239.362 3.890 20 30 BHEDMO C=CCC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000606897370 350622484 /nfs/dbraw/zinc/62/24/84/350622484.db2.gz DERYZMAIGKIAGJ-HNNXBMFYSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000606897371 350622842 /nfs/dbraw/zinc/62/28/42/350622842.db2.gz DERYZMAIGKIAGJ-OAHLLOKOSA-N 1 1 245.366 3.798 20 30 BHEDMO C=CCC[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000606897401 350622688 /nfs/dbraw/zinc/62/26/88/350622688.db2.gz UEZMZTWWRXQDAC-UHFFFAOYSA-N 1 1 247.382 3.729 20 30 BHEDMO C=CCC[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000606897416 350622681 /nfs/dbraw/zinc/62/26/81/350622681.db2.gz VBURVVMDXCOORY-INIZCTEOSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCC[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000606897417 350622574 /nfs/dbraw/zinc/62/25/74/350622574.db2.gz VBURVVMDXCOORY-MRXNPFEDSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCC[N@H+](CCC)Cc1ccccc1F ZINC000606897483 350622620 /nfs/dbraw/zinc/62/26/20/350622620.db2.gz VRFSGAXBQDQAKW-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO C=CCC[N@@H+](CCc1ccc(F)cc1)CC(C)C ZINC000606897567 350622490 /nfs/dbraw/zinc/62/24/90/350622490.db2.gz ZGALRIMKZQPZSK-UHFFFAOYSA-N 1 1 249.373 3.902 20 30 BHEDMO C=CCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000606897803 350622426 /nfs/dbraw/zinc/62/24/26/350622426.db2.gz CFZGXXNFNKQNFA-UHFFFAOYSA-N 1 1 207.361 3.607 20 30 BHEDMO C=CCC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000606898091 350623810 /nfs/dbraw/zinc/62/38/10/350623810.db2.gz HLONWDIJGTWPBK-DZGCQCFKSA-N 1 1 247.407 3.741 20 30 BHEDMO C=CCC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000606898092 350623522 /nfs/dbraw/zinc/62/35/22/350623522.db2.gz HLONWDIJGTWPBK-HIFRSBDPSA-N 1 1 247.407 3.741 20 30 BHEDMO C=CCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000606898093 350623783 /nfs/dbraw/zinc/62/37/83/350623783.db2.gz HLONWDIJGTWPBK-UKRRQHHQSA-N 1 1 247.407 3.741 20 30 BHEDMO C=CCC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000606898094 350624336 /nfs/dbraw/zinc/62/43/36/350624336.db2.gz HLONWDIJGTWPBK-ZFWWWQNUSA-N 1 1 247.407 3.741 20 30 BHEDMO C=CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000606898115 350624518 /nfs/dbraw/zinc/62/45/18/350624518.db2.gz LUNWAOGLBRSNTK-UHFFFAOYSA-N 1 1 233.330 3.614 20 30 BHEDMO C=CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000606898125 350624507 /nfs/dbraw/zinc/62/45/07/350624507.db2.gz NUGUFQAYAGASIN-CABCVRRESA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000606898126 350624093 /nfs/dbraw/zinc/62/40/93/350624093.db2.gz NUGUFQAYAGASIN-GJZGRUSLSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000606898127 350624344 /nfs/dbraw/zinc/62/43/44/350624344.db2.gz NUGUFQAYAGASIN-HUUCEWRRSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000606898128 350624412 /nfs/dbraw/zinc/62/44/12/350624412.db2.gz NUGUFQAYAGASIN-LSDHHAIUSA-N 1 1 229.367 3.749 20 30 BHEDMO C=CCC[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000606898129 350624057 /nfs/dbraw/zinc/62/40/57/350624057.db2.gz OEODKDFVWCELPE-HNNXBMFYSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCC[N@H+]1CCc2ccccc2[C@H]1CC ZINC000606898130 350624068 /nfs/dbraw/zinc/62/40/68/350624068.db2.gz OEODKDFVWCELPE-OAHLLOKOSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000606898144 350624530 /nfs/dbraw/zinc/62/45/30/350624530.db2.gz QWRSORFPJHTKEW-INIZCTEOSA-N 1 1 229.367 3.578 20 30 BHEDMO C=CCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000606898145 350624373 /nfs/dbraw/zinc/62/43/73/350624373.db2.gz QWRSORFPJHTKEW-MRXNPFEDSA-N 1 1 229.367 3.578 20 30 BHEDMO C=CC[N@@H+]1CCCCC[C@H]1c1ccc(CC)o1 ZINC000606899067 350626271 /nfs/dbraw/zinc/62/62/71/350626271.db2.gz GGZULBBETUIYAF-AWEZNQCLSA-N 1 1 233.355 3.945 20 30 BHEDMO C=CC[N@@H+]1CCCCC[C@@H]1c1ccc(CC)o1 ZINC000606899068 350626032 /nfs/dbraw/zinc/62/60/32/350626032.db2.gz GGZULBBETUIYAF-CQSZACIVSA-N 1 1 233.355 3.945 20 30 BHEDMO C=CCCCCC[N@H+](C)CCOc1ccccc1 ZINC000606902276 350626998 /nfs/dbraw/zinc/62/69/98/350626998.db2.gz PZPOYONHNVRLIB-UHFFFAOYSA-N 1 1 247.382 3.744 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cccc(OC)c1 ZINC000606934470 350629471 /nfs/dbraw/zinc/62/94/71/350629471.db2.gz QGIWEQFHZPYKTM-UHFFFAOYSA-N 1 1 247.382 3.873 20 30 BHEDMO C=CCCCCC[N@H+](C)CCC(F)(F)F ZINC000607153875 351030302 /nfs/dbraw/zinc/03/03/02/351030302.db2.gz DGLDYZYBAMFACD-UHFFFAOYSA-N 1 1 223.282 3.617 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000607156001 351032590 /nfs/dbraw/zinc/03/25/90/351032590.db2.gz SINMXGGHZAQKQN-UHFFFAOYSA-N 1 1 229.367 3.844 20 30 BHEDMO CC#CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000607724092 342780508 /nfs/dbraw/zinc/78/05/08/342780508.db2.gz AJSULYBOOHOPAD-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000607724093 342780583 /nfs/dbraw/zinc/78/05/83/342780583.db2.gz AJSULYBOOHOPAD-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO CC#CC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000607726761 342782446 /nfs/dbraw/zinc/78/24/46/342782446.db2.gz GJETUXRVZZANOS-UHFFFAOYSA-N 1 1 235.758 3.574 20 30 BHEDMO CC#CC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000607727993 342782935 /nfs/dbraw/zinc/78/29/35/342782935.db2.gz OEHDELMSEMNJDB-AWEZNQCLSA-N 1 1 233.355 3.774 20 30 BHEDMO CC#CC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000607727994 342782860 /nfs/dbraw/zinc/78/28/60/342782860.db2.gz OEHDELMSEMNJDB-CQSZACIVSA-N 1 1 233.355 3.774 20 30 BHEDMO CC#CC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000607729314 342783913 /nfs/dbraw/zinc/78/39/13/342783913.db2.gz PJKZESAEBXLMPH-UHFFFAOYSA-N 1 1 229.367 3.558 20 30 BHEDMO CC#CC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000607735337 342784940 /nfs/dbraw/zinc/78/49/40/342784940.db2.gz IJZHSIJKGJQTDJ-AWEZNQCLSA-N 1 1 231.339 3.528 20 30 BHEDMO CC#CC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000607735338 342784803 /nfs/dbraw/zinc/78/48/03/342784803.db2.gz IJZHSIJKGJQTDJ-CQSZACIVSA-N 1 1 231.339 3.528 20 30 BHEDMO C=CC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000607735908 342784757 /nfs/dbraw/zinc/78/47/57/342784757.db2.gz KIYNPRRTJWAPCE-HNNXBMFYSA-N 1 1 215.340 3.626 20 30 BHEDMO C=CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000607735909 342784830 /nfs/dbraw/zinc/78/48/30/342784830.db2.gz KIYNPRRTJWAPCE-OAHLLOKOSA-N 1 1 215.340 3.626 20 30 BHEDMO C=CCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000607739968 342786342 /nfs/dbraw/zinc/78/63/42/342786342.db2.gz RNPZMVNMEBOWSD-INIZCTEOSA-N 1 1 229.367 3.517 20 30 BHEDMO C=CCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000607739969 342786182 /nfs/dbraw/zinc/78/61/82/342786182.db2.gz RNPZMVNMEBOWSD-MRXNPFEDSA-N 1 1 229.367 3.517 20 30 BHEDMO C=CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000607741547 342786716 /nfs/dbraw/zinc/78/67/16/342786716.db2.gz PFPCYCGHZCSZQT-HNNXBMFYSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000607741548 342786632 /nfs/dbraw/zinc/78/66/32/342786632.db2.gz PFPCYCGHZCSZQT-OAHLLOKOSA-N 1 1 215.340 3.708 20 30 BHEDMO C=CC[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747024 342787454 /nfs/dbraw/zinc/78/74/54/342787454.db2.gz CPOHKQVUXZPSKU-UHFFFAOYSA-N 1 1 241.378 3.891 20 30 BHEDMO C=CCCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000607751319 342788139 /nfs/dbraw/zinc/78/81/39/342788139.db2.gz HGSBJFBREJINRA-INIZCTEOSA-N 1 1 231.383 3.906 20 30 BHEDMO C=CCCC[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000607751320 342788165 /nfs/dbraw/zinc/78/81/65/342788165.db2.gz HGSBJFBREJINRA-MRXNPFEDSA-N 1 1 231.383 3.906 20 30 BHEDMO C=CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607751996 342788572 /nfs/dbraw/zinc/78/85/72/342788572.db2.gz BTVMLKZLAOYXOF-GDBMZVCRSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000607751997 342788562 /nfs/dbraw/zinc/78/85/62/342788562.db2.gz BTVMLKZLAOYXOF-GOEBONIOSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000607751998 342788598 /nfs/dbraw/zinc/78/85/98/342788598.db2.gz BTVMLKZLAOYXOF-HOCLYGCPSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000607751999 342788534 /nfs/dbraw/zinc/78/85/34/342788534.db2.gz BTVMLKZLAOYXOF-ZBFHGGJFSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607752351 342788621 /nfs/dbraw/zinc/78/86/21/342788621.db2.gz UAOOBIWCKVOFSA-GDBMZVCRSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000607752352 342788619 /nfs/dbraw/zinc/78/86/19/342788619.db2.gz UAOOBIWCKVOFSA-GOEBONIOSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000607752353 342788609 /nfs/dbraw/zinc/78/86/09/342788609.db2.gz UAOOBIWCKVOFSA-HOCLYGCPSA-N 1 1 229.367 3.688 20 30 BHEDMO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000607752354 342788626 /nfs/dbraw/zinc/78/86/26/342788626.db2.gz UAOOBIWCKVOFSA-ZBFHGGJFSA-N 1 1 229.367 3.688 20 30 BHEDMO C=CCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000608502330 355830233 /nfs/dbraw/zinc/83/02/33/355830233.db2.gz BIKQYTXTFSMCIG-DOMZBBRYSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000608502338 355829840 /nfs/dbraw/zinc/82/98/40/355829840.db2.gz BIKQYTXTFSMCIG-IUODEOHRSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000608502339 355830088 /nfs/dbraw/zinc/83/00/88/355830088.db2.gz BIKQYTXTFSMCIG-SWLSCSKDSA-N 1 1 233.330 3.785 20 30 BHEDMO C=CCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000608502340 355830413 /nfs/dbraw/zinc/83/04/13/355830413.db2.gz BIKQYTXTFSMCIG-WFASDCNBSA-N 1 1 233.330 3.785 20 30 BHEDMO CC[N@@H+](CCCCC#N)Cc1ccc(C)cc1 ZINC000608832715 343096653 /nfs/dbraw/zinc/09/66/53/343096653.db2.gz LJOCMUOPMZOGME-UHFFFAOYSA-N 1 1 230.355 3.511 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000609047505 343267585 /nfs/dbraw/zinc/26/75/85/343267585.db2.gz RDXIOAJKKMDYHY-ILXRZTDVSA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000609047506 343267621 /nfs/dbraw/zinc/26/76/21/343267621.db2.gz RDXIOAJKKMDYHY-QLFBSQMISA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@@H]2CCCC[C@H]12 ZINC000609047507 343267660 /nfs/dbraw/zinc/26/76/60/343267660.db2.gz RDXIOAJKKMDYHY-RBSFLKMASA-N 1 1 234.387 3.581 20 30 BHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(C)(C)C ZINC000609577973 355915690 /nfs/dbraw/zinc/91/56/90/355915690.db2.gz SQRRSEWZYPAQOE-CYBMUJFWSA-N 1 1 244.382 3.987 20 30 BHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(C)(C)C ZINC000609577979 355915535 /nfs/dbraw/zinc/91/55/35/355915535.db2.gz SQRRSEWZYPAQOE-ZDUSSCGKSA-N 1 1 244.382 3.987 20 30 BHEDMO C=CCCC[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000609798366 356472739 /nfs/dbraw/zinc/47/27/39/356472739.db2.gz XMFXKSPXGSOMHG-UHFFFAOYSA-N 1 1 242.366 3.736 20 30 BHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000610001961 356687953 /nfs/dbraw/zinc/68/79/53/356687953.db2.gz POFOYDHMIIQSLV-KBPBESRZSA-N 1 1 222.376 3.581 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C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000642252434 362995353 /nfs/dbraw/zinc/99/53/53/362995353.db2.gz GFYWJECXPNLMKU-AWEZNQCLSA-N 1 1 247.382 3.728 20 30 BHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(C)C ZINC000642252435 362994983 /nfs/dbraw/zinc/99/49/83/362994983.db2.gz GFYWJECXPNLMKU-CQSZACIVSA-N 1 1 247.382 3.728 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000642252437 362995426 /nfs/dbraw/zinc/99/54/26/362995426.db2.gz IWICLOBLJNTPGX-AWEZNQCLSA-N 1 1 217.356 3.719 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(C)C ZINC000642252438 362994877 /nfs/dbraw/zinc/99/48/77/362994877.db2.gz IWICLOBLJNTPGX-CQSZACIVSA-N 1 1 217.356 3.719 20 30 BHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(C)C ZINC000642330161 363352388 /nfs/dbraw/zinc/35/23/88/363352388.db2.gz LYGHSQSMACSLNC-HNNXBMFYSA-N 1 1 231.383 3.762 20 30 BHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(C)C ZINC000642330162 363352845 /nfs/dbraw/zinc/35/28/45/363352845.db2.gz LYGHSQSMACSLNC-OAHLLOKOSA-N 1 1 231.383 3.762 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(C)C ZINC000642330191 363352814 /nfs/dbraw/zinc/35/28/14/363352814.db2.gz SJCVFYNAMGUSGJ-GFCCVEGCSA-N 1 1 223.385 3.781 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(C)C ZINC000642330194 363352838 /nfs/dbraw/zinc/35/28/38/363352838.db2.gz SJCVFYNAMGUSGJ-LBPRGKRZSA-N 1 1 223.385 3.781 20 30 BHEDMO C=CC[N@H+](Cc1cccs1)CC1CCCC1 ZINC000642619700 388621180 /nfs/dbraw/zinc/62/11/80/388621180.db2.gz OJTFGTBZVMQTSX-UHFFFAOYSA-N 1 1 235.396 3.926 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000645112265 386729988 /nfs/dbraw/zinc/72/99/88/386729988.db2.gz DMTNVVKAWVCTDG-UHFFFAOYSA-N 1 1 246.398 3.775 20 30 BHEDMO C=CCCC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019441 388125160 /nfs/dbraw/zinc/12/51/60/388125160.db2.gz DIRCOKHXEOKPPU-UHFFFAOYSA-N 1 1 244.382 3.568 20 30 BHEDMO C=C(CC)C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020243 388125307 /nfs/dbraw/zinc/12/53/07/388125307.db2.gz RKUKIJWEPNNZAH-UHFFFAOYSA-N 1 1 244.382 3.568 20 30 BHEDMO C=C(C)CC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020270 388125360 /nfs/dbraw/zinc/12/53/60/388125360.db2.gz RYQCADHKVSAPMY-UHFFFAOYSA-N 1 1 244.382 3.568 20 30 BHEDMO C=C(C)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116871 388145890 /nfs/dbraw/zinc/14/58/90/388145890.db2.gz IBWTUFSBZCHWNM-INIZCTEOSA-N 1 1 239.362 3.956 20 30 BHEDMO C=C(C)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116872 388145901 /nfs/dbraw/zinc/14/59/01/388145901.db2.gz IBWTUFSBZCHWNM-MRXNPFEDSA-N 1 1 239.362 3.956 20 30 BHEDMO C=CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116921 388145912 /nfs/dbraw/zinc/14/59/12/388145912.db2.gz JUKZIPYYKUFZJQ-HNNXBMFYSA-N 1 1 225.335 3.566 20 30 BHEDMO C=CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116922 388145897 /nfs/dbraw/zinc/14/58/97/388145897.db2.gz JUKZIPYYKUFZJQ-OAHLLOKOSA-N 1 1 225.335 3.566 20 30 BHEDMO C=CCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117764 388145487 /nfs/dbraw/zinc/14/54/87/388145487.db2.gz QRYQONPRMPCBRV-INIZCTEOSA-N 1 1 239.362 3.956 20 30 BHEDMO C=CCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117765 388145519 /nfs/dbraw/zinc/14/55/19/388145519.db2.gz QRYQONPRMPCBRV-MRXNPFEDSA-N 1 1 239.362 3.956 20 30 BHEDMO C=CCCCC[N@H+](C)Cc1ccsc1 ZINC000649231564 388463627 /nfs/dbraw/zinc/46/36/27/388463627.db2.gz AXODOYOECAUXRX-UHFFFAOYSA-N 1 1 209.358 3.536 20 30 BHEDMO C=CCCCC[N@H+](CC)CCC(F)(F)F ZINC000649279176 388507245 /nfs/dbraw/zinc/50/72/45/388507245.db2.gz FJRPHZANPKRYNO-UHFFFAOYSA-N 1 1 223.282 3.617 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000649343007 398160845 /nfs/dbraw/zinc/16/08/45/398160845.db2.gz HODHHCWDLKZPGB-HNNXBMFYSA-N 1 1 230.355 3.575 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000649343008 398160623 /nfs/dbraw/zinc/16/06/23/398160623.db2.gz HODHHCWDLKZPGB-OAHLLOKOSA-N 1 1 230.355 3.575 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000649398394 398199639 /nfs/dbraw/zinc/19/96/39/398199639.db2.gz QRRLRCAEJWKEHD-HNNXBMFYSA-N 1 1 230.355 3.575 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000649398395 398199446 /nfs/dbraw/zinc/19/94/46/398199446.db2.gz QRRLRCAEJWKEHD-OAHLLOKOSA-N 1 1 230.355 3.575 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702497 398053101 /nfs/dbraw/zinc/05/31/01/398053101.db2.gz FQQPXGXICMAHAY-CABCVRRESA-N 1 1 239.403 3.621 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702498 398052927 /nfs/dbraw/zinc/05/29/27/398052927.db2.gz FQQPXGXICMAHAY-GJZGRUSLSA-N 1 1 239.403 3.621 20 30 BHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702499 398052915 /nfs/dbraw/zinc/05/29/15/398052915.db2.gz FQQPXGXICMAHAY-HUUCEWRRSA-N 1 1 239.403 3.621 20 30 BHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702500 398053051 /nfs/dbraw/zinc/05/30/51/398053051.db2.gz FQQPXGXICMAHAY-LSDHHAIUSA-N 1 1 239.403 3.621 20 30 BHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649903025 398177527 /nfs/dbraw/zinc/17/75/27/398177527.db2.gz NFQZLOBPMOETJM-AWEZNQCLSA-N 1 1 232.371 3.567 20 30 BHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649903030 398176801 /nfs/dbraw/zinc/17/68/01/398176801.db2.gz NFQZLOBPMOETJM-CQSZACIVSA-N 1 1 232.371 3.567 20 30 BHEDMO CCC#C[C@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192657 397977189 /nfs/dbraw/zinc/97/71/89/397977189.db2.gz IKZZATRWSVCDGS-DZGCQCFKSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192657 397977186 /nfs/dbraw/zinc/97/71/86/397977186.db2.gz IKZZATRWSVCDGS-DZGCQCFKSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192658 397977076 /nfs/dbraw/zinc/97/70/76/397977076.db2.gz IKZZATRWSVCDGS-HIFRSBDPSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192658 397977073 /nfs/dbraw/zinc/97/70/73/397977073.db2.gz IKZZATRWSVCDGS-HIFRSBDPSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192659 397977123 /nfs/dbraw/zinc/97/71/23/397977123.db2.gz IKZZATRWSVCDGS-UKRRQHHQSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192659 397977119 /nfs/dbraw/zinc/97/71/19/397977119.db2.gz IKZZATRWSVCDGS-UKRRQHHQSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192660 397977174 /nfs/dbraw/zinc/97/71/74/397977174.db2.gz IKZZATRWSVCDGS-ZFWWWQNUSA-N 1 1 243.350 3.609 20 30 BHEDMO CCC#C[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192660 397977170 /nfs/dbraw/zinc/97/71/70/397977170.db2.gz IKZZATRWSVCDGS-ZFWWWQNUSA-N 1 1 243.350 3.609 20 30 BHEDMO C=CCC1(C[NH2+][C@H](C)c2cn[nH]c2C)CCCC1 ZINC000651461917 411044656 /nfs/dbraw/zinc/04/46/56/411044656.db2.gz DGUODZMBVPNCOS-GFCCVEGCSA-N 1 1 247.386 3.505 20 30 BHEDMO C=CCC1(C[NH2+][C@@H](C)c2cn[nH]c2C)CCCC1 ZINC000651461924 411045700 /nfs/dbraw/zinc/04/57/00/411045700.db2.gz DGUODZMBVPNCOS-LBPRGKRZSA-N 1 1 247.386 3.505 20 30 BHEDMO C=CCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830805 411195741 /nfs/dbraw/zinc/19/57/41/411195741.db2.gz KSWZPFRTWXAALX-UHFFFAOYSA-N 1 1 237.293 3.637 20 30 BHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000658058235 411225303 /nfs/dbraw/zinc/22/53/03/411225303.db2.gz ABONOWVLIVHQLW-KYOSRNDESA-N 1 1 247.386 3.504 20 30 BHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000658058237 411225444 /nfs/dbraw/zinc/22/54/44/411225444.db2.gz ABONOWVLIVHQLW-LNSITVRQSA-N 1 1 247.386 3.504 20 30 BHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000658058239 411225894 /nfs/dbraw/zinc/22/58/94/411225894.db2.gz ABONOWVLIVHQLW-NJZAAPMLSA-N 1 1 247.386 3.504 20 30 BHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000658058240 411224855 /nfs/dbraw/zinc/22/48/55/411224855.db2.gz ABONOWVLIVHQLW-UXIGCNINSA-N 1 1 247.386 3.504 20 30 BHEDMO C=C(C)C[N@H+](CC)C[C@H](CC)CC(F)F ZINC000659829442 411466352 /nfs/dbraw/zinc/46/63/52/411466352.db2.gz RAASCWILMDXCEW-LLVKDONJSA-N 1 1 219.319 3.566 20 30 BHEDMO C=C(C)C[N@H+](CC)C[C@@H](CC)CC(F)F ZINC000659829443 411466840 /nfs/dbraw/zinc/46/68/40/411466840.db2.gz RAASCWILMDXCEW-NSHDSACASA-N 1 1 219.319 3.566 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1nsc2ccccc21 ZINC000659829950 411466826 /nfs/dbraw/zinc/46/68/26/411466826.db2.gz XMEYYLJQDGNPOI-UHFFFAOYSA-N 1 1 246.379 3.694 20 30 BHEDMO C=C(C)C[N@@H+](CC)Cc1nsc2ccccc21 ZINC000659829950 411466823 /nfs/dbraw/zinc/46/68/23/411466823.db2.gz XMEYYLJQDGNPOI-UHFFFAOYSA-N 1 1 246.379 3.694 20 30 BHEDMO C=CC[N@H+](Cc1coc(C)n1)CC1CCCCC1 ZINC000659921070 411382668 /nfs/dbraw/zinc/38/26/68/411382668.db2.gz RZBZJUFETZCWST-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CC[N@@H+](Cc1coc(C)n1)CC1CCCCC1 ZINC000659921070 411382666 /nfs/dbraw/zinc/38/26/66/411382666.db2.gz RZBZJUFETZCWST-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CCCC[N@H+](C)C[C@H](CC)CC(F)F ZINC000659940684 411388442 /nfs/dbraw/zinc/38/84/42/411388442.db2.gz GYXKKEBRSADUIE-LLVKDONJSA-N 1 1 219.319 3.566 20 30 BHEDMO C=CCCC[N@H+](C)C[C@@H](CC)CC(F)F ZINC000659940685 411388154 /nfs/dbraw/zinc/38/81/54/411388154.db2.gz GYXKKEBRSADUIE-NSHDSACASA-N 1 1 219.319 3.566 20 30 BHEDMO C=CCCC[N@H+](C)Cc1nsc2ccccc21 ZINC000659941865 411505313 /nfs/dbraw/zinc/50/53/13/411505313.db2.gz RJBQHLSORHBPKY-UHFFFAOYSA-N 1 1 246.379 3.694 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659945334 411390093 /nfs/dbraw/zinc/39/00/93/411390093.db2.gz AAHIVWLKVCCTNS-UHFFFAOYSA-N 1 1 248.370 3.730 20 30 BHEDMO C=CC[N@H+](Cc1cccc(SC)c1)C1CC1 ZINC000660168744 487724860 /nfs/dbraw/zinc/72/48/60/487724860.db2.gz ADUOXBZBNUSMLQ-UHFFFAOYSA-N 1 1 233.380 3.559 20 30 BHEDMO C=CC[C@@H]1[N@@H+](Cc2coc(C)n2)CCCC1(C)C ZINC000660423798 411583510 /nfs/dbraw/zinc/58/35/10/411583510.db2.gz WUQIIRWXECOOFY-AWEZNQCLSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@H]1[N@@H+](Cc2coc(C)n2)CCCC1(C)C ZINC000660423799 411583760 /nfs/dbraw/zinc/58/37/60/411583760.db2.gz WUQIIRWXECOOFY-CQSZACIVSA-N 1 1 248.370 3.550 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](CC)CC(F)F ZINC000660428807 411583664 /nfs/dbraw/zinc/58/36/64/411583664.db2.gz GZKJYHSKLFKZHN-NEPJUHHUSA-N 1 1 231.330 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000660428809 411583523 /nfs/dbraw/zinc/58/35/23/411583523.db2.gz GZKJYHSKLFKZHN-NWDGAFQWSA-N 1 1 231.330 3.708 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000660428811 411583340 /nfs/dbraw/zinc/58/33/40/411583340.db2.gz GZKJYHSKLFKZHN-RYUDHWBXSA-N 1 1 231.330 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](CC)CC(F)F ZINC000660428812 411583757 /nfs/dbraw/zinc/58/37/57/411583757.db2.gz GZKJYHSKLFKZHN-VXGBXAGGSA-N 1 1 231.330 3.708 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625911 411609251 /nfs/dbraw/zinc/60/92/51/411609251.db2.gz LLIXPJBAZVBRIT-HNNXBMFYSA-N 1 1 244.382 3.617 20 30 BHEDMO C=CCCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625913 411608636 /nfs/dbraw/zinc/60/86/36/411608636.db2.gz LLIXPJBAZVBRIT-OAHLLOKOSA-N 1 1 244.382 3.617 20 30 BHEDMO C=CCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661133109 410291364 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3.942 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC000683844418 488230955 /nfs/dbraw/zinc/23/09/55/488230955.db2.gz VDNRUIBYOWXQQB-NSHDSACASA-N 1 1 241.787 3.942 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000684019021 488255242 /nfs/dbraw/zinc/25/52/42/488255242.db2.gz GRBXFRAEDNLIKX-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000684023614 488256704 /nfs/dbraw/zinc/25/67/04/488256704.db2.gz ANZZMOCXPIGUEU-HNNXBMFYSA-N 1 1 240.350 3.708 20 30 BHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000684023615 488256835 /nfs/dbraw/zinc/25/68/35/488256835.db2.gz ANZZMOCXPIGUEU-OAHLLOKOSA-N 1 1 240.350 3.708 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054521 487498179 /nfs/dbraw/zinc/49/81/79/487498179.db2.gz KDOZYWLTYVZXLK-PHIMTYICSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1ccc(CC)nc1 ZINC000685418653 487519154 /nfs/dbraw/zinc/51/91/54/487519154.db2.gz XMADPEKJHNYYDD-UHFFFAOYSA-N 1 1 246.398 3.822 20 30 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CCC(C)(C)CC[N@@H+](CCC#N)CC(C)C ZINC000711257277 712291722 /nfs/dbraw/zinc/29/17/22/712291722.db2.gz URVFMQBGMFVULB-UHFFFAOYSA-N 1 1 224.392 3.684 20 30 BHEDMO CCC1(CC)CCC[N@H+]1CCCC(C)(C)C#N ZINC000721222175 712899411 /nfs/dbraw/zinc/89/94/11/712899411.db2.gz OXMLXHOBWHJTKV-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO CCC1(CC)CCC[N@H+]1CCC(C)(C)C#N ZINC000721224065 712899527 /nfs/dbraw/zinc/89/95/27/712899527.db2.gz YYWCKNZNVYVGPO-UHFFFAOYSA-N 1 1 222.376 3.581 20 30 BHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccoc1)C1CC1 ZINC000723739706 710732029 /nfs/dbraw/zinc/73/20/29/710732029.db2.gz QGDYPINWYVQUSK-UHFFFAOYSA-N 1 1 246.354 3.574 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000726070477 583325008 /nfs/dbraw/zinc/32/50/08/583325008.db2.gz ABHNEOVXEXNJSV-CYBMUJFWSA-N 1 1 235.758 3.537 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000726070481 583324977 /nfs/dbraw/zinc/32/49/77/583324977.db2.gz ABHNEOVXEXNJSV-ZDUSSCGKSA-N 1 1 235.758 3.537 20 30 BHEDMO C=C(Cl)C[N@@H+](C)CCC1CCCCC1 ZINC000726071319 583327581 /nfs/dbraw/zinc/32/75/81/583327581.db2.gz DSEYETGRLWKFLG-UHFFFAOYSA-N 1 1 215.768 3.641 20 30 BHEDMO C=CC[N@H+](Cc1ccc(OC(C)C)cc1)C(C)C ZINC000726596817 583362491 /nfs/dbraw/zinc/36/24/91/583362491.db2.gz UYZVGETZLSNEOH-UHFFFAOYSA-N 1 1 247.382 3.870 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000727222296 583623706 /nfs/dbraw/zinc/62/37/06/583623706.db2.gz JVIOZEGHAMMLEJ-HNNXBMFYSA-N 1 1 249.785 3.836 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000727222297 583623420 /nfs/dbraw/zinc/62/34/20/583623420.db2.gz JVIOZEGHAMMLEJ-OAHLLOKOSA-N 1 1 249.785 3.836 20 30 BHEDMO CCCCCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000727464225 583655682 /nfs/dbraw/zinc/65/56/82/583655682.db2.gz MQYRJXFVKMGHFR-UHFFFAOYSA-N 1 1 245.370 3.623 20 30 BHEDMO C=CC[N@@H+](Cc1cccs1)C[Si](C)(C)C ZINC000729267214 583988124 /nfs/dbraw/zinc/98/81/24/583988124.db2.gz LUEQQIOJKLVENX-UHFFFAOYSA-N 1 1 239.460 3.614 20 30 BHEDMO 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BHEDMO C=C(C)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846459 584929516 /nfs/dbraw/zinc/92/95/16/584929516.db2.gz ZUTSIKZOZYOQDC-UHFFFAOYSA-N 1 1 245.366 3.713 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1ncc[nH]1 ZINC000732198598 584934832 /nfs/dbraw/zinc/93/48/32/584934832.db2.gz YQKDMEOCZYWZHV-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO CCCCCCCCC[N@H+](C)Cc1ncc[nH]1 ZINC000732198598 584934831 /nfs/dbraw/zinc/93/48/31/584934831.db2.gz YQKDMEOCZYWZHV-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000732412735 584936908 /nfs/dbraw/zinc/93/69/08/584936908.db2.gz VRAPMOLGTGTWHI-UHFFFAOYSA-N 1 1 227.779 3.785 20 30 BHEDMO C=CC[N@H+](CC(=C)Cl)CC1CCCCC1 ZINC000732694958 584940031 /nfs/dbraw/zinc/94/00/31/584940031.db2.gz GORRUPFNYPTQIU-UHFFFAOYSA-N 1 1 227.779 3.807 20 30 BHEDMO C=CC[N@H+](C/C=C\Cl)CC1CCCCC1 ZINC000732695810 584939937 /nfs/dbraw/zinc/93/99/37/584939937.db2.gz PBCLCBBYWFKQOE-TWGQIWQCSA-N 1 1 227.779 3.807 20 30 BHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 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VTEXRLCTEMEHGH-UHFFFAOYSA-N 1 1 239.309 3.753 20 30 BHEDMO C=CCCC[N@H+](CC)[C@H]1CCc2ccccc21 ZINC000735490942 584977891 /nfs/dbraw/zinc/97/78/91/584977891.db2.gz WNXJAWNHSVCJPN-INIZCTEOSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@H+](CC)[C@@H]1CCc2ccccc21 ZINC000735490943 584977976 /nfs/dbraw/zinc/97/79/76/584977976.db2.gz WNXJAWNHSVCJPN-MRXNPFEDSA-N 1 1 229.367 3.962 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccc(F)cc1 ZINC000735490995 584978054 /nfs/dbraw/zinc/97/80/54/584978054.db2.gz ZELSOXBEEZEBPY-UHFFFAOYSA-N 1 1 221.319 3.614 20 30 BHEDMO C=CC[N@H+](CCSc1ccccc1)C(C)C ZINC000735491390 584978035 /nfs/dbraw/zinc/97/80/35/584978035.db2.gz JZDXNZZIBUJEKK-UHFFFAOYSA-N 1 1 235.396 3.675 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccc(F)c(F)c1 ZINC000735491545 584978143 /nfs/dbraw/zinc/97/81/43/584978143.db2.gz LZXDPKHOJMVUMN-UHFFFAOYSA-N 1 1 239.309 3.753 20 30 BHEDMO C=CCCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000735492075 584977982 /nfs/dbraw/zinc/97/79/82/584977982.db2.gz IZRPBSHALNONFV-CYBMUJFWSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000735492079 584977962 /nfs/dbraw/zinc/97/79/62/584977962.db2.gz IZRPBSHALNONFV-ZDUSSCGKSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1cccc(C)c1 ZINC000735492493 584977940 /nfs/dbraw/zinc/97/79/40/584977940.db2.gz ZXSMKQAMKYMWTL-UHFFFAOYSA-N 1 1 217.356 3.783 20 30 BHEDMO C#CC[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000735494592 584978004 /nfs/dbraw/zinc/97/80/04/584978004.db2.gz FPLRIXFBNSINMZ-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CC[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000735494593 584978106 /nfs/dbraw/zinc/97/81/06/584978106.db2.gz FPLRIXFBNSINMZ-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000735562948 584979777 /nfs/dbraw/zinc/97/97/77/584979777.db2.gz QUGHLAIKPORCPT-UHFFFAOYSA-N 1 1 246.398 3.541 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2ccccc2n1)C(C)C ZINC000736308000 584996935 /nfs/dbraw/zinc/99/69/35/584996935.db2.gz DIMJKUSOIRERPO-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000736945561 585019776 /nfs/dbraw/zinc/01/97/76/585019776.db2.gz GORAFQJUBNIQSN-GFCCVEGCSA-N 1 1 239.746 3.949 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000736945561 585019775 /nfs/dbraw/zinc/01/97/75/585019775.db2.gz GORAFQJUBNIQSN-GFCCVEGCSA-N 1 1 239.746 3.949 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000736945562 585019630 /nfs/dbraw/zinc/01/96/30/585019630.db2.gz GORAFQJUBNIQSN-LBPRGKRZSA-N 1 1 239.746 3.949 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000736945562 585019629 /nfs/dbraw/zinc/01/96/29/585019629.db2.gz GORAFQJUBNIQSN-LBPRGKRZSA-N 1 1 239.746 3.949 20 30 BHEDMO C=CC[N@@H+](Cc1c(C)cccc1C)C(C)C ZINC000738305096 585042319 /nfs/dbraw/zinc/04/23/19/585042319.db2.gz PIILKMQYJXAGEI-UHFFFAOYSA-N 1 1 217.356 3.700 20 30 BHEDMO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000738876572 585053941 /nfs/dbraw/zinc/05/39/41/585053941.db2.gz KSJALVAOHSINNV-KBPBESRZSA-N 1 1 249.785 3.925 20 30 BHEDMO 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/nfs/dbraw/zinc/18/22/70/585182270.db2.gz VZOKFENUSMASNH-OAHLLOKOSA-N 1 1 247.769 3.891 20 30 BHEDMO C=C(Cl)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000747684388 585182337 /nfs/dbraw/zinc/18/23/37/585182337.db2.gz ZQNZLRSZZFEJKK-GFCCVEGCSA-N 1 1 235.758 3.965 20 30 BHEDMO C=C(Cl)C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000747684388 585182336 /nfs/dbraw/zinc/18/23/36/585182336.db2.gz ZQNZLRSZZFEJKK-GFCCVEGCSA-N 1 1 235.758 3.965 20 30 BHEDMO C=C(Cl)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000747684391 585182585 /nfs/dbraw/zinc/18/25/85/585182585.db2.gz ZQNZLRSZZFEJKK-LBPRGKRZSA-N 1 1 235.758 3.965 20 30 BHEDMO C=C(Cl)C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000747684391 585182584 /nfs/dbraw/zinc/18/25/84/585182584.db2.gz ZQNZLRSZZFEJKK-LBPRGKRZSA-N 1 1 235.758 3.965 20 30 BHEDMO CCCCCCC[N@@H+](CCC#N)CC1CC1 ZINC000747963940 585186485 /nfs/dbraw/zinc/18/64/85/585186485.db2.gz ZAULIJCLINOBSD-UHFFFAOYSA-N 1 1 222.376 3.582 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@H](COCC)C1 ZINC000747966903 585186351 /nfs/dbraw/zinc/18/63/51/585186351.db2.gz MOJSTUDRIKABIC-HNNXBMFYSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@@H](COCC)C1 ZINC000747966904 585186549 /nfs/dbraw/zinc/18/65/49/585186549.db2.gz MOJSTUDRIKABIC-OAHLLOKOSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCC[N@@H+](C)Cc1cccc(O)c1 ZINC000748817164 585196810 /nfs/dbraw/zinc/19/68/10/585196810.db2.gz KYDKTZIAECOURF-UHFFFAOYSA-N 1 1 235.371 3.794 20 30 BHEDMO C=C(Cl)C[N@H+](C)C1CCCCCCC1 ZINC000748983099 585197866 /nfs/dbraw/zinc/19/78/66/585197866.db2.gz ZNRIUDCRJPNQLA-UHFFFAOYSA-N 1 1 215.768 3.784 20 30 BHEDMO C=C(Cl)C[N@H+](C(C)C)C1CCCCC1 ZINC000749066122 585199153 /nfs/dbraw/zinc/19/91/53/585199153.db2.gz DVKKAWSHOOJYKV-UHFFFAOYSA-N 1 1 215.768 3.782 20 30 BHEDMO CCCCCCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000749115113 585199681 /nfs/dbraw/zinc/19/96/81/585199681.db2.gz HCNLTOWMYJYZKU-INIZCTEOSA-N 1 1 249.398 3.622 20 30 BHEDMO CCCCCCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000749115114 585199765 /nfs/dbraw/zinc/19/97/65/585199765.db2.gz HCNLTOWMYJYZKU-MRXNPFEDSA-N 1 1 249.398 3.622 20 30 BHEDMO C=C(Cl)C[N@H+](C)C1CCC(CC)CC1 ZINC000749116252 585199792 /nfs/dbraw/zinc/19/97/92/585199792.db2.gz MJABVTMNFFYRPD-UHFFFAOYSA-N 1 1 215.768 3.640 20 30 BHEDMO C=CC[N@@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000749515565 585203368 /nfs/dbraw/zinc/20/33/68/585203368.db2.gz UPFQCJYTUSWUSU-UHFFFAOYSA-N 1 1 247.769 3.588 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000749843463 585207409 /nfs/dbraw/zinc/20/74/09/585207409.db2.gz CNFYTKQTMZRYEM-AWEZNQCLSA-N 1 1 249.402 3.560 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000749843478 585207429 /nfs/dbraw/zinc/20/74/29/585207429.db2.gz CNFYTKQTMZRYEM-CQSZACIVSA-N 1 1 249.402 3.560 20 30 BHEDMO C=CC[N@@H+](CC#Cc1ccc(Cl)cc1)C(C)C ZINC000750039582 585209729 /nfs/dbraw/zinc/20/97/29/585209729.db2.gz QOFNPCAZAUIKCY-UHFFFAOYSA-N 1 1 247.769 3.588 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000751775879 585236287 /nfs/dbraw/zinc/23/62/87/585236287.db2.gz IXIPFKKRUVWHCD-GXTWGEPZSA-N 1 1 235.758 3.617 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000751775880 585236245 /nfs/dbraw/zinc/23/62/45/585236245.db2.gz IXIPFKKRUVWHCD-JSGCOSHPSA-N 1 1 235.758 3.617 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000751775881 585236235 /nfs/dbraw/zinc/23/62/35/585236235.db2.gz IXIPFKKRUVWHCD-OCCSQVGLSA-N 1 1 235.758 3.617 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000751775882 585236266 /nfs/dbraw/zinc/23/62/66/585236266.db2.gz IXIPFKKRUVWHCD-TZMCWYRMSA-N 1 1 235.758 3.617 20 30 BHEDMO C=CC[N@H+](CCCCC(F)(F)F)C(C)C ZINC000751963600 585239985 /nfs/dbraw/zinc/23/99/85/585239985.db2.gz KQVHPEFMFXETPH-UHFFFAOYSA-N 1 1 223.282 3.615 20 30 BHEDMO C=CC[N@H+](CCCSCC(C)C)C(C)C ZINC000751964567 585239894 /nfs/dbraw/zinc/23/98/94/585239894.db2.gz UNMFZIHUPVKIHX-UHFFFAOYSA-N 1 1 229.433 3.662 20 30 BHEDMO C#CCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000752855318 644603635 /nfs/dbraw/zinc/60/36/35/644603635.db2.gz IZLJMKVCEFTIEM-AWEZNQCLSA-N 1 1 231.339 3.528 20 30 BHEDMO C#CCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000752855319 644604088 /nfs/dbraw/zinc/60/40/88/644604088.db2.gz IZLJMKVCEFTIEM-CQSZACIVSA-N 1 1 231.339 3.528 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000752856001 585250835 /nfs/dbraw/zinc/25/08/35/585250835.db2.gz NSQLNVASFGYSDE-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000752856005 585250723 /nfs/dbraw/zinc/25/07/23/585250723.db2.gz NSQLNVASFGYSDE-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000752857534 585250716 /nfs/dbraw/zinc/25/07/16/585250716.db2.gz RULPPVDAFYMWLQ-DOTOQJQBSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000752857559 585250775 /nfs/dbraw/zinc/25/07/75/585250775.db2.gz RULPPVDAFYMWLQ-NVXWUHKLSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000752857562 585250711 /nfs/dbraw/zinc/25/07/11/585250711.db2.gz RULPPVDAFYMWLQ-RDJZCZTQSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000752857563 585250960 /nfs/dbraw/zinc/25/09/60/585250960.db2.gz RULPPVDAFYMWLQ-WBVHZDCISA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000752858171 644603795 /nfs/dbraw/zinc/60/37/95/644603795.db2.gz XUTWHCNAGHKMAE-UHFFFAOYSA-N 1 1 235.758 3.574 20 30 BHEDMO C=CC[N@@H+](Cc1ncc(C(C)C)s1)C(C)C ZINC000753535201 585260988 /nfs/dbraw/zinc/26/09/88/585260988.db2.gz IVWAJMJCGDEGFT-UHFFFAOYSA-N 1 1 238.400 3.663 20 30 BHEDMO C=CC[N@H+](Cc1ncc(C(C)C)s1)C(C)C ZINC000753535201 585260987 /nfs/dbraw/zinc/26/09/87/585260987.db2.gz IVWAJMJCGDEGFT-UHFFFAOYSA-N 1 1 238.400 3.663 20 30 BHEDMO C=CCCCCC[N@H+](C)CCC(=O)C(C)(C)C ZINC000753724797 585267595 /nfs/dbraw/zinc/26/75/95/585267595.db2.gz VIPWJBRTQHQOKG-UHFFFAOYSA-N 1 1 239.403 3.670 20 30 BHEDMO CCCCCCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000754370022 585283227 /nfs/dbraw/zinc/28/32/27/585283227.db2.gz ASYHACPOTQXELW-AWEZNQCLSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCCCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000754370031 585283171 /nfs/dbraw/zinc/28/31/71/585283171.db2.gz ASYHACPOTQXELW-CQSZACIVSA-N 1 1 236.403 3.971 20 30 BHEDMO CCCCCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000754371133 585283275 /nfs/dbraw/zinc/28/32/75/585283275.db2.gz IPAWVCMWAMBBOT-CYBMUJFWSA-N 1 1 222.376 3.581 20 30 BHEDMO CCCCCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000754371134 585283247 /nfs/dbraw/zinc/28/32/47/585283247.db2.gz IPAWVCMWAMBBOT-ZDUSSCGKSA-N 1 1 222.376 3.581 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000755079403 585294310 /nfs/dbraw/zinc/29/43/10/585294310.db2.gz DPVXXUJWOOZMLE-AWEZNQCLSA-N 1 1 235.758 3.748 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000755079404 585294451 /nfs/dbraw/zinc/29/44/51/585294451.db2.gz DPVXXUJWOOZMLE-CQSZACIVSA-N 1 1 235.758 3.748 20 30 BHEDMO C=C(Cl)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000755194756 585295957 /nfs/dbraw/zinc/29/59/57/585295957.db2.gz LBIDONBCGLERDO-FMIVXFBMSA-N 1 1 235.758 3.774 20 30 BHEDMO C=C(Cl)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000755194756 585295956 /nfs/dbraw/zinc/29/59/56/585295956.db2.gz LBIDONBCGLERDO-FMIVXFBMSA-N 1 1 235.758 3.774 20 30 BHEDMO C=C(Cl)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000755194759 585295970 /nfs/dbraw/zinc/29/59/70/585295970.db2.gz LBIDONBCGLERDO-XFXZXTDPSA-N 1 1 235.758 3.774 20 30 BHEDMO C=C(Cl)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000755194759 585295969 /nfs/dbraw/zinc/29/59/69/585295969.db2.gz LBIDONBCGLERDO-XFXZXTDPSA-N 1 1 235.758 3.774 20 30 BHEDMO CC(C)C[N@H+](CCC#N)CCCC1CCCC1 ZINC000755948367 585311326 /nfs/dbraw/zinc/31/13/26/585311326.db2.gz IKYBJMWCBDDQCC-UHFFFAOYSA-N 1 1 236.403 3.828 20 30 BHEDMO C=C(Cl)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000756056582 585313890 /nfs/dbraw/zinc/31/38/90/585313890.db2.gz DQHMHBOAVYQTTH-UHFFFAOYSA-N 1 1 215.768 3.640 20 30 BHEDMO C#CC[N@@H+](C/C=C/c1ccccc1)C1CCCC1 ZINC000756912488 585325039 /nfs/dbraw/zinc/32/50/39/585325039.db2.gz XKDBXNCOLNWPAI-DHZHZOJOSA-N 1 1 239.362 3.578 20 30 BHEDMO C#CC[N@@H+](C/C=C\c1ccccc1)C1CCCC1 ZINC000756912489 585325105 /nfs/dbraw/zinc/32/51/05/585325105.db2.gz XKDBXNCOLNWPAI-FLIBITNWSA-N 1 1 239.362 3.578 20 30 BHEDMO C#CC[C@H](Nc1cc(C)cc[nH+]1)c1ccccc1 ZINC000756953986 585325479 /nfs/dbraw/zinc/32/54/79/585325479.db2.gz VNEWHWIEMMOQPS-HNNXBMFYSA-N 1 1 236.318 3.567 20 30 BHEDMO C#CC[C@@H](Nc1cc(C)cc[nH+]1)c1ccccc1 ZINC000756953987 585325608 /nfs/dbraw/zinc/32/56/08/585325608.db2.gz VNEWHWIEMMOQPS-OAHLLOKOSA-N 1 1 236.318 3.567 20 30 BHEDMO CCCCCCC[N@@H+](CC)Cc1ccccn1 ZINC000757844423 585345931 /nfs/dbraw/zinc/34/59/31/585345931.db2.gz ZRGLTUXNHHVOLO-UHFFFAOYSA-N 1 1 234.387 3.874 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC12CCCCC2 ZINC000759397677 585372052 /nfs/dbraw/zinc/37/20/52/585372052.db2.gz YEILQRRSNACIJY-UHFFFAOYSA-N 1 1 213.752 3.538 20 30 BHEDMO CCCCCCCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000759458674 585373571 /nfs/dbraw/zinc/37/35/71/585373571.db2.gz BRESEAYUTJJWNC-QDMKHBRRSA-N 1 1 241.419 3.581 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000760808473 585397631 /nfs/dbraw/zinc/39/76/31/585397631.db2.gz KLPIKQICJIALRC-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000760808477 585397447 /nfs/dbraw/zinc/39/74/47/585397447.db2.gz KLPIKQICJIALRC-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCC[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000760817146 585397696 /nfs/dbraw/zinc/39/76/96/585397696.db2.gz CDOLZBWVTCXGTR-CYBMUJFWSA-N 1 1 241.334 3.839 20 30 BHEDMO C#CCC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000760817147 585397690 /nfs/dbraw/zinc/39/76/90/585397690.db2.gz CDOLZBWVTCXGTR-ZDUSSCGKSA-N 1 1 241.334 3.839 20 30 BHEDMO C#CCC[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000760818488 585397859 /nfs/dbraw/zinc/39/78/59/585397859.db2.gz FJCNJHIKYCEONX-HNNXBMFYSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCC[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000760818490 585397984 /nfs/dbraw/zinc/39/79/84/585397984.db2.gz FJCNJHIKYCEONX-OAHLLOKOSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000760818530 585397921 /nfs/dbraw/zinc/39/79/21/585397921.db2.gz GCPIXUCQNZNUCQ-AWEZNQCLSA-N 1 1 233.355 3.774 20 30 BHEDMO C#CCC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000760818532 585397941 /nfs/dbraw/zinc/39/79/41/585397941.db2.gz GCPIXUCQNZNUCQ-CQSZACIVSA-N 1 1 233.355 3.774 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000760819394 585397870 /nfs/dbraw/zinc/39/78/70/585397870.db2.gz JIELWKRRDWOWKO-DLBZAZTESA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000760819396 585397748 /nfs/dbraw/zinc/39/77/48/585397748.db2.gz JIELWKRRDWOWKO-IAGOWNOFSA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000760819398 585398039 /nfs/dbraw/zinc/39/80/39/585398039.db2.gz JIELWKRRDWOWKO-IRXDYDNUSA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000760819401 585397809 /nfs/dbraw/zinc/39/78/09/585397809.db2.gz JIELWKRRDWOWKO-SJORKVTESA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000760819608 585398028 /nfs/dbraw/zinc/39/80/28/585398028.db2.gz SXBZOBWKZDYGPM-INIZCTEOSA-N 1 1 227.351 3.627 20 30 BHEDMO C#CCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000760819610 585398061 /nfs/dbraw/zinc/39/80/61/585398061.db2.gz SXBZOBWKZDYGPM-MRXNPFEDSA-N 1 1 227.351 3.627 20 30 BHEDMO C#CCC[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000760819644 585398043 /nfs/dbraw/zinc/39/80/43/585398043.db2.gz NKAGJWQJASGZCZ-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO C#CCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000760819766 585397919 /nfs/dbraw/zinc/39/79/19/585397919.db2.gz OPDOCPNJLVRYDW-UHFFFAOYSA-N 1 1 221.388 3.546 20 30 BHEDMO C#CCC[N@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000760820063 585398010 /nfs/dbraw/zinc/39/80/10/585398010.db2.gz NTSQSKJMEMUQEK-INIZCTEOSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCC[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC000760820065 585397991 /nfs/dbraw/zinc/39/79/91/585397991.db2.gz NTSQSKJMEMUQEK-MRXNPFEDSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000760822565 585397837 /nfs/dbraw/zinc/39/78/37/585397837.db2.gz WYPLMSFTPRXESF-UHFFFAOYSA-N 1 1 249.357 3.828 20 30 BHEDMO C#CCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000760830918 585398167 /nfs/dbraw/zinc/39/81/67/585398167.db2.gz PCZMTTHQKUYJGD-UHFFFAOYSA-N 1 1 229.367 3.558 20 30 BHEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000760840307 584908472 /nfs/dbraw/zinc/90/84/72/584908472.db2.gz DSQBNCDLSSIWNO-DLBZAZTESA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000760840319 584908479 /nfs/dbraw/zinc/90/84/79/584908479.db2.gz DSQBNCDLSSIWNO-IAGOWNOFSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000760840327 584908483 /nfs/dbraw/zinc/90/84/83/584908483.db2.gz DSQBNCDLSSIWNO-IRXDYDNUSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000760840338 584908487 /nfs/dbraw/zinc/90/84/87/584908487.db2.gz DSQBNCDLSSIWNO-SJORKVTESA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841302 585398802 /nfs/dbraw/zinc/39/88/02/585398802.db2.gz NLKNYEGSYYHSGE-DZGCQCFKSA-N 1 1 245.366 3.638 20 30 BHEDMO C#CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841304 585398789 /nfs/dbraw/zinc/39/87/89/585398789.db2.gz NLKNYEGSYYHSGE-HIFRSBDPSA-N 1 1 245.366 3.638 20 30 BHEDMO C#CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000760841305 585398949 /nfs/dbraw/zinc/39/89/49/585398949.db2.gz NLKNYEGSYYHSGE-UKRRQHHQSA-N 1 1 245.366 3.638 20 30 BHEDMO C#CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000760841307 585398872 /nfs/dbraw/zinc/39/88/72/585398872.db2.gz NLKNYEGSYYHSGE-ZFWWWQNUSA-N 1 1 245.366 3.638 20 30 BHEDMO C#CCC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000760843167 585399511 /nfs/dbraw/zinc/39/95/11/585399511.db2.gz HUOBXKJJFBNTAN-HNNXBMFYSA-N 1 1 241.378 3.873 20 30 BHEDMO C#CCC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000760843169 585399185 /nfs/dbraw/zinc/39/91/85/585399185.db2.gz HUOBXKJJFBNTAN-OAHLLOKOSA-N 1 1 241.378 3.873 20 30 BHEDMO C#CCC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000760843913 585399433 /nfs/dbraw/zinc/39/94/33/585399433.db2.gz RQLRWIMUXKBBMW-CHWSQXEVSA-N 1 1 249.785 3.787 20 30 BHEDMO C#CCC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000760843916 585399183 /nfs/dbraw/zinc/39/91/83/585399183.db2.gz RQLRWIMUXKBBMW-OLZOCXBDSA-N 1 1 249.785 3.787 20 30 BHEDMO C#CCC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000760843920 585399322 /nfs/dbraw/zinc/39/93/22/585399322.db2.gz RQLRWIMUXKBBMW-QWHCGFSZSA-N 1 1 249.785 3.787 20 30 BHEDMO C#CCC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000760843925 585399084 /nfs/dbraw/zinc/39/90/84/585399084.db2.gz RQLRWIMUXKBBMW-STQMWFEESA-N 1 1 249.785 3.787 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000760844212 585399330 /nfs/dbraw/zinc/39/93/30/585399330.db2.gz NNUFBXRMZFSYKC-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000760844214 585399297 /nfs/dbraw/zinc/39/92/97/585399297.db2.gz NNUFBXRMZFSYKC-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000760852607 585399903 /nfs/dbraw/zinc/39/99/03/585399903.db2.gz TWNBCBVRNPTJLR-GFCCVEGCSA-N 1 1 247.769 3.889 20 30 BHEDMO C#CCC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000760852611 585400014 /nfs/dbraw/zinc/40/00/14/585400014.db2.gz TWNBCBVRNPTJLR-LBPRGKRZSA-N 1 1 247.769 3.889 20 30 BHEDMO C#CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000760857763 585400147 /nfs/dbraw/zinc/40/01/47/585400147.db2.gz YLTRYZBQQIZMFR-UHFFFAOYSA-N 1 1 245.341 3.594 20 30 BHEDMO C#CCC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000760859262 585400093 /nfs/dbraw/zinc/40/00/93/585400093.db2.gz GJCBPACUWZGUMU-UHFFFAOYSA-N 1 1 247.341 3.712 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000760860854 585400315 /nfs/dbraw/zinc/40/03/15/585400315.db2.gz SLZIWNIOYYTZSJ-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000760860856 585400405 /nfs/dbraw/zinc/40/04/05/585400405.db2.gz SLZIWNIOYYTZSJ-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761039819 585403792 /nfs/dbraw/zinc/40/37/92/585403792.db2.gz FQNBAOYTGFAOTL-LLVKDONJSA-N 1 1 237.309 3.841 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761039822 585403654 /nfs/dbraw/zinc/40/36/54/585403654.db2.gz FQNBAOYTGFAOTL-NSHDSACASA-N 1 1 237.309 3.841 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761107362 585409650 /nfs/dbraw/zinc/40/96/50/585409650.db2.gz DULZJGWTJPUORU-GFCCVEGCSA-N 1 1 233.346 3.934 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000761107369 585409946 /nfs/dbraw/zinc/40/99/46/585409946.db2.gz DULZJGWTJPUORU-LBPRGKRZSA-N 1 1 233.346 3.934 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000761111510 585410068 /nfs/dbraw/zinc/41/00/68/585410068.db2.gz YPWHPTRUGACOLE-LLVKDONJSA-N 1 1 219.319 3.544 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000761111515 585410065 /nfs/dbraw/zinc/41/00/65/585410065.db2.gz YPWHPTRUGACOLE-NSHDSACASA-N 1 1 219.319 3.544 20 30 BHEDMO C[N@@H+](CCC(C)(C)C#N)C1CCCCCCC1 ZINC000762378740 585431329 /nfs/dbraw/zinc/43/13/29/585431329.db2.gz SSACCSAELASSIY-UHFFFAOYSA-N 1 1 236.403 3.971 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000762635158 585434582 /nfs/dbraw/zinc/43/45/82/585434582.db2.gz RNQOXEKDXOCFEA-AWEZNQCLSA-N 1 1 235.758 3.966 20 30 BHEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762635160 585434480 /nfs/dbraw/zinc/43/44/80/585434480.db2.gz RNQOXEKDXOCFEA-CQSZACIVSA-N 1 1 235.758 3.966 20 30 BHEDMO C#CCCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000762636414 585434970 /nfs/dbraw/zinc/43/49/70/585434970.db2.gz YJHVGTGNXRWGOB-INIZCTEOSA-N 1 1 227.351 3.627 20 30 BHEDMO C#CCCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762636415 585434827 /nfs/dbraw/zinc/43/48/27/585434827.db2.gz YJHVGTGNXRWGOB-MRXNPFEDSA-N 1 1 227.351 3.627 20 30 BHEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000763433290 585448453 /nfs/dbraw/zinc/44/84/53/585448453.db2.gz QCOWRRRNPOPLBN-UHFFFAOYSA-N 1 1 247.725 3.789 20 30 BHEDMO C#CCCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000763531852 585449648 /nfs/dbraw/zinc/44/96/48/585449648.db2.gz SHMKCHYHGCJLNQ-UHFFFAOYSA-N 1 1 238.334 3.677 20 30 BHEDMO C=CCCCCC[N@H+](C)C/C(Cl)=C/Cl ZINC000763559077 585450898 /nfs/dbraw/zinc/45/08/98/585450898.db2.gz AMENCENBUBIRMQ-LUAWRHEFSA-N 1 1 236.186 3.984 20 30 BHEDMO C=CCCCCC[N@@H+](C)C/C(Cl)=C/Cl ZINC000763559077 585450897 /nfs/dbraw/zinc/45/08/97/585450897.db2.gz AMENCENBUBIRMQ-LUAWRHEFSA-N 1 1 236.186 3.984 20 30 BHEDMO C=CCCCCC[N@H+](C)C/C(Cl)=C\Cl ZINC000763559079 585450842 /nfs/dbraw/zinc/45/08/42/585450842.db2.gz AMENCENBUBIRMQ-PKNBQFBNSA-N 1 1 236.186 3.984 20 30 BHEDMO C=CCCCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC000763559079 585450841 /nfs/dbraw/zinc/45/08/41/585450841.db2.gz AMENCENBUBIRMQ-PKNBQFBNSA-N 1 1 236.186 3.984 20 30 BHEDMO C#CCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000764231525 585462206 /nfs/dbraw/zinc/46/22/06/585462206.db2.gz GAMPPIQJKZRRBV-KRWDZBQOSA-N 1 1 239.362 3.552 20 30 BHEDMO C#CCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000764231527 584926457 /nfs/dbraw/zinc/92/64/57/584926457.db2.gz GAMPPIQJKZRRBV-QGZVFWFLSA-N 1 1 239.362 3.552 20 30 BHEDMO C#CCC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000764234486 585462198 /nfs/dbraw/zinc/46/21/98/585462198.db2.gz RABFBMJHMDEZQO-GFCCVEGCSA-N 1 1 247.769 3.889 20 30 BHEDMO C#CCC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000764234489 585462327 /nfs/dbraw/zinc/46/23/27/585462327.db2.gz RABFBMJHMDEZQO-LBPRGKRZSA-N 1 1 247.769 3.889 20 30 BHEDMO C#CCC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000764236977 584926350 /nfs/dbraw/zinc/92/63/50/584926350.db2.gz ZFLKBTQUVHUJLT-UHFFFAOYSA-N 1 1 249.357 3.809 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000764817229 585474650 /nfs/dbraw/zinc/47/46/50/585474650.db2.gz SKMGGOPKQOCPCN-UHFFFAOYSA-N 1 1 246.398 3.541 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000764961163 644660617 /nfs/dbraw/zinc/66/06/17/644660617.db2.gz RHRSEZRPPFPWCT-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000764961164 644660555 /nfs/dbraw/zinc/66/05/55/644660555.db2.gz RHRSEZRPPFPWCT-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO C=C(Cl)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000765910144 585493708 /nfs/dbraw/zinc/49/37/08/585493708.db2.gz NBWKGCVZEXXYGD-UHFFFAOYSA-N 1 1 237.774 3.994 20 30 BHEDMO C=C(Cl)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000765910144 585493707 /nfs/dbraw/zinc/49/37/07/585493707.db2.gz NBWKGCVZEXXYGD-UHFFFAOYSA-N 1 1 237.774 3.994 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000766894241 585509579 /nfs/dbraw/zinc/50/95/79/585509579.db2.gz BCKZDOFKCZDMLR-UHFFFAOYSA-N 1 1 235.396 3.680 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000766894243 585509566 /nfs/dbraw/zinc/50/95/66/585509566.db2.gz BJNDMBVTRPLCPU-UHFFFAOYSA-N 1 1 229.367 3.558 20 30 BHEDMO C#CCCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000766894277 585509628 /nfs/dbraw/zinc/50/96/28/585509628.db2.gz CXIWPOICNSOZRM-UHFFFAOYSA-N 1 1 241.378 3.702 20 30 BHEDMO C#CCCC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000766894345 585509234 /nfs/dbraw/zinc/50/92/34/585509234.db2.gz BJCRDVOTALVBEJ-UHFFFAOYSA-N 1 1 249.785 3.964 20 30 BHEDMO C#CCCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000766894489 585508888 /nfs/dbraw/zinc/50/88/88/585508888.db2.gz CKYSRBVENOYLIC-CYBMUJFWSA-N 1 1 233.330 3.622 20 30 BHEDMO C#CCCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000766894490 585508903 /nfs/dbraw/zinc/50/89/03/585508903.db2.gz CKYSRBVENOYLIC-ZDUSSCGKSA-N 1 1 233.330 3.622 20 30 BHEDMO C#CCCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000766894558 585509588 /nfs/dbraw/zinc/50/95/88/585509588.db2.gz DVHKXAMAONEDQE-UHFFFAOYSA-N 1 1 229.367 3.655 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000766894753 585509605 /nfs/dbraw/zinc/50/96/05/585509605.db2.gz GFRKKESXPJXPNC-HNNXBMFYSA-N 1 1 229.367 3.710 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000766894755 585509613 /nfs/dbraw/zinc/50/96/13/585509613.db2.gz GFRKKESXPJXPNC-OAHLLOKOSA-N 1 1 229.367 3.710 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000766894827 585509592 /nfs/dbraw/zinc/50/95/92/585509592.db2.gz FPUPSFJJCWCAGW-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000766894850 585508969 /nfs/dbraw/zinc/50/89/69/585508969.db2.gz FPUPSFJJCWCAGW-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CCCC[N@@H+](CCc1ccccc1)CC(C)C ZINC000766894940 585509277 /nfs/dbraw/zinc/50/92/77/585509277.db2.gz HNDVAINMOCUEPS-UHFFFAOYSA-N 1 1 243.394 3.601 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccccc1F)CC(C)C ZINC000766894998 585509572 /nfs/dbraw/zinc/50/95/72/585509572.db2.gz HVFGEEBULKBRIC-UHFFFAOYSA-N 1 1 247.357 3.697 20 30 BHEDMO C#CCCC[N@H+](CC)Cc1ccc(Cl)s1 ZINC000766895255 585509253 /nfs/dbraw/zinc/50/92/53/585509253.db2.gz CIBHBMGIMYSEQL-UHFFFAOYSA-N 1 1 241.787 3.637 20 30 BHEDMO C#CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000766895394 585509379 /nfs/dbraw/zinc/50/93/79/585509379.db2.gz KDPDXESWIHMYGB-UHFFFAOYSA-N 1 1 247.769 3.718 20 30 BHEDMO C#CCCC[N@H+](C)Cc1csc2ccccc12 ZINC000766895412 585509534 /nfs/dbraw/zinc/50/95/34/585509534.db2.gz KUXJZHSWKNEDTO-UHFFFAOYSA-N 1 1 243.375 3.747 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000766895451 585509260 /nfs/dbraw/zinc/50/92/60/585509260.db2.gz MLXIKZITRCUFOJ-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000766895452 585509639 /nfs/dbraw/zinc/50/96/39/585509639.db2.gz MLXIKZITRCUFOJ-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000766895520 585509268 /nfs/dbraw/zinc/50/92/68/585509268.db2.gz ORUJTHZDWWLMFC-UHFFFAOYSA-N 1 1 235.758 3.575 20 30 BHEDMO C#CCCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000766895704 585509258 /nfs/dbraw/zinc/50/92/58/585509258.db2.gz QNHCCHUWPXYORV-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000766895757 585509821 /nfs/dbraw/zinc/50/98/21/585509821.db2.gz HHSAEGYFRMPNHA-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000766895759 585509968 /nfs/dbraw/zinc/50/99/68/585509968.db2.gz HHSAEGYFRMPNHA-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@H+](CCC)Cc1ccc(C)cc1 ZINC000766895795 585509715 /nfs/dbraw/zinc/50/97/15/585509715.db2.gz IGHXDXMXTBVYRB-UHFFFAOYSA-N 1 1 229.367 3.620 20 30 BHEDMO C#CCCC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000766896050 585509795 /nfs/dbraw/zinc/50/97/95/585509795.db2.gz OLQKFKDIDLYGGH-INIZCTEOSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCCC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000766896052 585510009 /nfs/dbraw/zinc/51/00/09/585510009.db2.gz OLQKFKDIDLYGGH-MRXNPFEDSA-N 1 1 229.367 3.873 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000766896055 585509711 /nfs/dbraw/zinc/50/97/11/585509711.db2.gz OLXJJKCUGSFCKW-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000766896056 585510031 /nfs/dbraw/zinc/51/00/31/585510031.db2.gz OLXJJKCUGSFCKW-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000766896059 585509977 /nfs/dbraw/zinc/50/99/77/585509977.db2.gz WBXXGIPXJJAENX-INIZCTEOSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000766896061 585509883 /nfs/dbraw/zinc/50/98/83/585509883.db2.gz WBXXGIPXJJAENX-MRXNPFEDSA-N 1 1 227.351 3.545 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000766896063 585509948 /nfs/dbraw/zinc/50/99/48/585509948.db2.gz WESGQUBYTXGTAS-HNNXBMFYSA-N 1 1 229.367 3.710 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000766896065 585509740 /nfs/dbraw/zinc/50/97/40/585509740.db2.gz WESGQUBYTXGTAS-OAHLLOKOSA-N 1 1 229.367 3.710 20 30 BHEDMO C#CCCC[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000766896250 584944457 /nfs/dbraw/zinc/94/44/57/584944457.db2.gz YQETYUGZUILQIY-UHFFFAOYSA-N 1 1 241.378 3.627 20 30 BHEDMO C#CCCC[N@H+](C)Cc1cccc2ccccc21 ZINC000766896259 584944463 /nfs/dbraw/zinc/94/44/63/584944463.db2.gz YQUZNIHWGTWGPL-UHFFFAOYSA-N 1 1 237.346 3.685 20 30 BHEDMO C#CCCC[N@H+](CC)Cc1ccccc1Cl ZINC000766896291 585509963 /nfs/dbraw/zinc/50/99/63/585509963.db2.gz YXIDCTSWFYIYDI-UHFFFAOYSA-N 1 1 235.758 3.575 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000766896319 585509708 /nfs/dbraw/zinc/50/97/08/585509708.db2.gz LPOGOZRSCIAQMF-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000766896320 585509835 /nfs/dbraw/zinc/50/98/35/585509835.db2.gz LPOGOZRSCIAQMF-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000766896456 584944471 /nfs/dbraw/zinc/94/44/71/584944471.db2.gz PAXPWZBMXFDEDS-CYBMUJFWSA-N 1 1 241.334 3.839 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000766896461 584944488 /nfs/dbraw/zinc/94/44/88/584944488.db2.gz PAXPWZBMXFDEDS-ZDUSSCGKSA-N 1 1 241.334 3.839 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000766896638 585509736 /nfs/dbraw/zinc/50/97/36/585509736.db2.gz WDKLOEDIJQQWBY-KRWDZBQOSA-N 1 1 241.378 3.670 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000766896639 585510044 /nfs/dbraw/zinc/51/00/44/585510044.db2.gz WDKLOEDIJQQWBY-QGZVFWFLSA-N 1 1 241.378 3.670 20 30 BHEDMO C#CCCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000766896838 585509764 /nfs/dbraw/zinc/50/97/64/585509764.db2.gz XIQXPRGKODEFAS-UHFFFAOYSA-N 1 1 235.758 3.575 20 30 BHEDMO C#CCCC[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000766896981 584944532 /nfs/dbraw/zinc/94/45/32/584944532.db2.gz YCGUNUCTJZRIBM-KRWDZBQOSA-N 1 1 241.378 3.799 20 30 BHEDMO C#CCCC[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000766896982 584944530 /nfs/dbraw/zinc/94/45/30/584944530.db2.gz YCGUNUCTJZRIBM-QGZVFWFLSA-N 1 1 241.378 3.799 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000766901369 585510234 /nfs/dbraw/zinc/51/02/34/585510234.db2.gz MVWRCCAASRYQRM-AWEZNQCLSA-N 1 1 247.769 3.543 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000766901371 585510373 /nfs/dbraw/zinc/51/03/73/585510373.db2.gz MVWRCCAASRYQRM-CQSZACIVSA-N 1 1 247.769 3.543 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766901516 585510290 /nfs/dbraw/zinc/51/02/90/585510290.db2.gz PMTXJQHSMVUZCH-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000766901518 585510402 /nfs/dbraw/zinc/51/04/02/585510402.db2.gz PMTXJQHSMVUZCH-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000766902053 585510252 /nfs/dbraw/zinc/51/02/52/585510252.db2.gz VTRAHYDQGGNDOX-INIZCTEOSA-N 1 1 229.367 3.729 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000766902054 585510383 /nfs/dbraw/zinc/51/03/83/585510383.db2.gz VTRAHYDQGGNDOX-MRXNPFEDSA-N 1 1 229.367 3.729 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000766902409 642317320 /nfs/dbraw/zinc/31/73/20/642317320.db2.gz JHBLKZKXKKJKCB-DZGCQCFKSA-N 1 1 245.366 3.774 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000766902410 642320891 /nfs/dbraw/zinc/32/08/91/642320891.db2.gz JHBLKZKXKKJKCB-HIFRSBDPSA-N 1 1 245.366 3.774 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000766902411 642323021 /nfs/dbraw/zinc/32/30/21/642323021.db2.gz JHBLKZKXKKJKCB-UKRRQHHQSA-N 1 1 245.366 3.774 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000766902412 642322531 /nfs/dbraw/zinc/32/25/31/642322531.db2.gz JHBLKZKXKKJKCB-ZFWWWQNUSA-N 1 1 245.366 3.774 20 30 BHEDMO C#CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000766902549 585510920 /nfs/dbraw/zinc/51/09/20/585510920.db2.gz KKYKWRIWQFWKLJ-DOTOQJQBSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000766902550 585510976 /nfs/dbraw/zinc/51/09/76/585510976.db2.gz KKYKWRIWQFWKLJ-NVXWUHKLSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000766902551 585510839 /nfs/dbraw/zinc/51/08/39/585510839.db2.gz KKYKWRIWQFWKLJ-RDJZCZTQSA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000766902552 584944584 /nfs/dbraw/zinc/94/45/84/584944584.db2.gz KKYKWRIWQFWKLJ-WBVHZDCISA-N 1 1 241.378 3.525 20 30 BHEDMO C#CCCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000766903151 585510658 /nfs/dbraw/zinc/51/06/58/585510658.db2.gz QNDVELUZRNMALG-UHFFFAOYSA-N 1 1 241.378 3.681 20 30 BHEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000766903196 585510609 /nfs/dbraw/zinc/51/06/09/585510609.db2.gz RMMJABCGCZUDBI-CVEARBPZSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000766903209 585510558 /nfs/dbraw/zinc/51/05/58/585510558.db2.gz ATBHCDVHUQZFIO-UHFFFAOYSA-N 1 1 247.357 3.840 20 30 BHEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000766903372 584944566 /nfs/dbraw/zinc/94/45/66/584944566.db2.gz RMMJABCGCZUDBI-HOTGVXAUSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000766903376 584944544 /nfs/dbraw/zinc/94/45/44/584944544.db2.gz RMMJABCGCZUDBI-HZPDHXFCSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000766903404 584944535 /nfs/dbraw/zinc/94/45/35/584944535.db2.gz RMMJABCGCZUDBI-JKSUJKDBSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000766903461 585510769 /nfs/dbraw/zinc/51/07/69/585510769.db2.gz RYHVZCRUKUDEFC-BBRMVZONSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000766903463 585510964 /nfs/dbraw/zinc/51/09/64/585510964.db2.gz RYHVZCRUKUDEFC-CJNGLKHVSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000766903465 585510833 /nfs/dbraw/zinc/51/08/33/585510833.db2.gz RYHVZCRUKUDEFC-CZUORRHYSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000766903467 585510650 /nfs/dbraw/zinc/51/06/50/585510650.db2.gz RYHVZCRUKUDEFC-XJKSGUPXSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000766903601 585510647 /nfs/dbraw/zinc/51/06/47/585510647.db2.gz TUIZBNYUPPWWDG-BBRMVZONSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000766903603 585510626 /nfs/dbraw/zinc/51/06/26/585510626.db2.gz TUIZBNYUPPWWDG-CJNGLKHVSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000766903605 585510708 /nfs/dbraw/zinc/51/07/08/585510708.db2.gz TUIZBNYUPPWWDG-CZUORRHYSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000766903606 585510582 /nfs/dbraw/zinc/51/05/82/585510582.db2.gz TUIZBNYUPPWWDG-XJKSGUPXSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000766904092 585510960 /nfs/dbraw/zinc/51/09/60/585510960.db2.gz WHWQFFOQBZLTEY-UHFFFAOYSA-N 1 1 243.394 3.618 20 30 BHEDMO C#CCCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000766904155 585510675 /nfs/dbraw/zinc/51/06/75/585510675.db2.gz XNBFRLZXHPTKJN-HNNXBMFYSA-N 1 1 245.366 3.919 20 30 BHEDMO C#CCCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000766904156 585510955 /nfs/dbraw/zinc/51/09/55/585510955.db2.gz XNBFRLZXHPTKJN-OAHLLOKOSA-N 1 1 245.366 3.919 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000766904176 585510949 /nfs/dbraw/zinc/51/09/49/585510949.db2.gz XTOUQWKHLJPAAY-BBRMVZONSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000766904178 584944600 /nfs/dbraw/zinc/94/46/00/584944600.db2.gz XTOUQWKHLJPAAY-CJNGLKHVSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000766904183 584944592 /nfs/dbraw/zinc/94/45/92/584944592.db2.gz XTOUQWKHLJPAAY-CZUORRHYSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000766904208 584944546 /nfs/dbraw/zinc/94/45/46/584944546.db2.gz XTOUQWKHLJPAAY-XJKSGUPXSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000766904351 585510556 /nfs/dbraw/zinc/51/05/56/585510556.db2.gz FJUBENZIRNSZEP-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000766904354 585510723 /nfs/dbraw/zinc/51/07/23/585510723.db2.gz FJUBENZIRNSZEP-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000766904379 585510905 /nfs/dbraw/zinc/51/09/05/585510905.db2.gz ZDYVABGANKPQLL-KRWDZBQOSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000766904381 585510576 /nfs/dbraw/zinc/51/05/76/585510576.db2.gz ZDYVABGANKPQLL-QGZVFWFLSA-N 1 1 241.378 3.854 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000766904414 585510962 /nfs/dbraw/zinc/51/09/62/585510962.db2.gz ZMBGEMBSNGIMQL-KRWDZBQOSA-N 1 1 243.394 3.661 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000766904415 584944606 /nfs/dbraw/zinc/94/46/06/584944606.db2.gz ZMBGEMBSNGIMQL-QGZVFWFLSA-N 1 1 243.394 3.661 20 30 BHEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000766904670 585510837 /nfs/dbraw/zinc/51/08/37/585510837.db2.gz HZDJJRLJROSSPO-INIZCTEOSA-N 1 1 245.341 3.766 20 30 BHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000766904672 585510750 /nfs/dbraw/zinc/51/07/50/585510750.db2.gz HZDJJRLJROSSPO-MRXNPFEDSA-N 1 1 245.341 3.766 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000766905933 585509042 /nfs/dbraw/zinc/50/90/42/585509042.db2.gz NJJZZJUFSAQFFC-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000766905935 585509064 /nfs/dbraw/zinc/50/90/64/585509064.db2.gz NJJZZJUFSAQFFC-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCCC[N@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000766906006 585511217 /nfs/dbraw/zinc/51/12/17/585511217.db2.gz OROYMRUHAQUBHZ-KRWDZBQOSA-N 1 1 243.394 3.743 20 30 BHEDMO C#CCCC[N@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000766906007 585511116 /nfs/dbraw/zinc/51/11/16/585511116.db2.gz OROYMRUHAQUBHZ-QGZVFWFLSA-N 1 1 243.394 3.743 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000766906044 585511315 /nfs/dbraw/zinc/51/13/15/585511315.db2.gz MVXPTUKXGPRTCK-CYBMUJFWSA-N 1 1 249.785 3.616 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000766906045 585511382 /nfs/dbraw/zinc/51/13/82/585511382.db2.gz MVXPTUKXGPRTCK-ZDUSSCGKSA-N 1 1 249.785 3.616 20 30 BHEDMO C#CCCC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000766906055 585511326 /nfs/dbraw/zinc/51/13/26/585511326.db2.gz PJLFBZCSOPQAHO-KRWDZBQOSA-N 1 1 241.378 3.655 20 30 BHEDMO C#CCCC[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000766906060 585511287 /nfs/dbraw/zinc/51/12/87/585511287.db2.gz PJLFBZCSOPQAHO-QGZVFWFLSA-N 1 1 241.378 3.655 20 30 BHEDMO C#CCCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000766906318 585511324 /nfs/dbraw/zinc/51/13/24/585511324.db2.gz QDEAUOXAGARLMU-AWEZNQCLSA-N 1 1 231.339 3.610 20 30 BHEDMO C#CCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000766906322 585511031 /nfs/dbraw/zinc/51/10/31/585511031.db2.gz QDEAUOXAGARLMU-CQSZACIVSA-N 1 1 231.339 3.610 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000766906622 585511205 /nfs/dbraw/zinc/51/12/05/585511205.db2.gz SKDSSCQEESVZJL-UHFFFAOYSA-N 1 1 229.367 3.701 20 30 BHEDMO C#CCCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000766913380 585511591 /nfs/dbraw/zinc/51/15/91/585511591.db2.gz PMVSARWWXKFCFX-KRWDZBQOSA-N 1 1 239.362 3.552 20 30 BHEDMO C#CCCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000766913381 585511525 /nfs/dbraw/zinc/51/15/25/585511525.db2.gz PMVSARWWXKFCFX-QGZVFWFLSA-N 1 1 239.362 3.552 20 30 BHEDMO C#CCCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000766914331 585511535 /nfs/dbraw/zinc/51/15/35/585511535.db2.gz IYDOZSCUZYUNMJ-AWEZNQCLSA-N 1 1 227.351 3.625 20 30 BHEDMO C#CCCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000766914332 585511436 /nfs/dbraw/zinc/51/14/36/585511436.db2.gz IYDOZSCUZYUNMJ-CQSZACIVSA-N 1 1 227.351 3.625 20 30 BHEDMO C=C(Cl)C[N@@H+](CCC)CCc1cccs1 ZINC000766930740 585512025 /nfs/dbraw/zinc/51/20/25/585512025.db2.gz DQMYZHXPVFZXKN-UHFFFAOYSA-N 1 1 243.803 3.755 20 30 BHEDMO CCCCCCCC[N@@H+](C)Cc1cccnc1 ZINC000767470515 585520691 /nfs/dbraw/zinc/52/06/91/585520691.db2.gz SJCYAAUNYHHLJS-UHFFFAOYSA-N 1 1 234.387 3.874 20 30 BHEDMO CCCCCCCC[N@@H+](C)CCc1ccccn1 ZINC000767542199 585522408 /nfs/dbraw/zinc/52/24/08/585522408.db2.gz YHUNIMWATOLOIS-UHFFFAOYSA-N 1 1 248.414 3.916 20 30 BHEDMO CCCCCCC[N@@H+](CC)Cc1ccncc1 ZINC000767617837 585523292 /nfs/dbraw/zinc/52/32/92/585523292.db2.gz XRKUEJHOLUVPHP-UHFFFAOYSA-N 1 1 234.387 3.874 20 30 BHEDMO C=CC[N@@H+](Cc1cc2ccccc2o1)C(C)C ZINC000767891138 585527639 /nfs/dbraw/zinc/52/76/39/585527639.db2.gz QNQYUNSAWIZMPL-UHFFFAOYSA-N 1 1 229.323 3.829 20 30 BHEDMO CCCCCCC[N@H+]1CCCC[C@H](COC)C1 ZINC000767945618 585528904 /nfs/dbraw/zinc/52/89/04/585528904.db2.gz ANJFPZRSLZKSBT-HNNXBMFYSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000767945619 585528632 /nfs/dbraw/zinc/52/86/32/585528632.db2.gz ANJFPZRSLZKSBT-OAHLLOKOSA-N 1 1 241.419 3.705 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1cncc2ccccc21 ZINC000768139966 585532666 /nfs/dbraw/zinc/53/26/66/585532666.db2.gz IWVRINIXSGDGNF-UHFFFAOYSA-N 1 1 240.350 3.633 20 30 BHEDMO Cc1cc(C[N@H+](CCC#N)CC(C)C)ccc1F ZINC000768153650 585533351 /nfs/dbraw/zinc/53/33/51/585533351.db2.gz HWZGKXZVBGTUBN-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1F ZINC000768153650 585533350 /nfs/dbraw/zinc/53/33/50/585533350.db2.gz HWZGKXZVBGTUBN-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1ccc(C[N@H+](CCC#N)CC(C)C)cc1F ZINC000768153837 585533178 /nfs/dbraw/zinc/53/31/78/585533178.db2.gz MHADDIHVLQJYRS-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1F ZINC000768153837 585533177 /nfs/dbraw/zinc/53/31/77/585533177.db2.gz MHADDIHVLQJYRS-UHFFFAOYSA-N 1 1 248.345 3.506 20 30 BHEDMO Cc1cccc(C[N@H+](CCC#N)CC(C)C)c1C ZINC000768154436 585533263 /nfs/dbraw/zinc/53/32/63/585533263.db2.gz SXFFUVXEMCHFIM-UHFFFAOYSA-N 1 1 244.382 3.675 20 30 BHEDMO C=CC[N@H+](Cc1ccoc1)Cc1cccs1 ZINC000768197700 585533870 /nfs/dbraw/zinc/53/38/70/585533870.db2.gz MIZDMZVVPQTXRY-UHFFFAOYSA-N 1 1 233.336 3.529 20 30 BHEDMO C=CC[N@@H+](Cc1ccoc1)Cc1cccs1 ZINC000768197700 585533869 /nfs/dbraw/zinc/53/38/69/585533869.db2.gz MIZDMZVVPQTXRY-UHFFFAOYSA-N 1 1 233.336 3.529 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(F)c(C)c1)C(C)C ZINC000768546228 584951179 /nfs/dbraw/zinc/95/11/79/584951179.db2.gz ACLLAUHLGBIKRB-UHFFFAOYSA-N 1 1 221.319 3.531 20 30 BHEDMO C=CC[N@@H+](Cc1cscc1Cl)C(C)C ZINC000768546681 585539964 /nfs/dbraw/zinc/53/99/64/585539964.db2.gz CPKHNBYQLJDGEX-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO C=CC[N@H+](Cc1cscc1Cl)C(C)C ZINC000768546681 585539963 /nfs/dbraw/zinc/53/99/63/585539963.db2.gz CPKHNBYQLJDGEX-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO C=CC[N@@H+](Cc1cccc2cc[nH]c21)C(C)C ZINC000768546747 585540147 /nfs/dbraw/zinc/54/01/47/585540147.db2.gz DUWFDFDULXPTQI-UHFFFAOYSA-N 1 1 228.339 3.564 20 30 BHEDMO C=CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C(C)C ZINC000768547060 585539874 /nfs/dbraw/zinc/53/98/74/585539874.db2.gz HOIRMPPQBKWXRR-CVEARBPZSA-N 1 1 229.367 3.687 20 30 BHEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000768547065 585539936 /nfs/dbraw/zinc/53/99/36/585539936.db2.gz HOIRMPPQBKWXRR-HOTGVXAUSA-N 1 1 229.367 3.687 20 30 BHEDMO C=CC[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000768547067 585539995 /nfs/dbraw/zinc/53/99/95/585539995.db2.gz HOIRMPPQBKWXRR-HZPDHXFCSA-N 1 1 229.367 3.687 20 30 BHEDMO C=CC[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000768547068 585540046 /nfs/dbraw/zinc/54/00/46/585540046.db2.gz HOIRMPPQBKWXRR-JKSUJKDBSA-N 1 1 229.367 3.687 20 30 BHEDMO C=CC[N@@H+](Cc1ccnc2ccccc12)C(C)C ZINC000768547391 585540108 /nfs/dbraw/zinc/54/01/08/585540108.db2.gz KPYFZHSHFRRPIC-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2ncccc2c1)C(C)C ZINC000768547765 585539968 /nfs/dbraw/zinc/53/99/68/585539968.db2.gz ONGZCPHZZVGWQS-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CC[N@@H+](Cc1cc2cc(F)ccc2o1)C(C)C ZINC000768547839 585540493 /nfs/dbraw/zinc/54/04/93/585540493.db2.gz RNNDQLJKZHOFEV-UHFFFAOYSA-N 1 1 247.313 3.968 20 30 BHEDMO C=CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000768547910 585540452 /nfs/dbraw/zinc/54/04/52/585540452.db2.gz TVEGSWQVMOOHFZ-GXTWGEPZSA-N 1 1 233.355 3.799 20 30 BHEDMO C=CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000768547912 585540379 /nfs/dbraw/zinc/54/03/79/585540379.db2.gz TVEGSWQVMOOHFZ-JSGCOSHPSA-N 1 1 233.355 3.799 20 30 BHEDMO C=CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000768547913 585540431 /nfs/dbraw/zinc/54/04/31/585540431.db2.gz TVEGSWQVMOOHFZ-OCCSQVGLSA-N 1 1 233.355 3.799 20 30 BHEDMO C=CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000768547915 585540358 /nfs/dbraw/zinc/54/03/58/585540358.db2.gz TVEGSWQVMOOHFZ-TZMCWYRMSA-N 1 1 233.355 3.799 20 30 BHEDMO C=CCOc1ccccc1C[N@H+](CC=C)C(C)C ZINC000768547930 585540207 /nfs/dbraw/zinc/54/02/07/585540207.db2.gz UFHWLRONQOVCRQ-UHFFFAOYSA-N 1 1 245.366 3.648 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(F)c(Cl)c1)C(C)C ZINC000768547951 585540370 /nfs/dbraw/zinc/54/03/70/585540370.db2.gz UPWSRIZCLUWUIF-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=CC[N@H+](C/C=C/c1ccccc1OC)C(C)C ZINC000768548038 585540308 /nfs/dbraw/zinc/54/03/08/585540308.db2.gz VGOVIXFNQICULD-CSKARUKUSA-N 1 1 245.366 3.605 20 30 BHEDMO C=CC[N@H+](C/C=C\c1ccccc1OC)C(C)C ZINC000768548041 585540269 /nfs/dbraw/zinc/54/02/69/585540269.db2.gz VGOVIXFNQICULD-NTMALXAHSA-N 1 1 245.366 3.605 20 30 BHEDMO C=CC[N@@H+](Cc1nccc2ccccc21)C(C)C ZINC000768548086 585540455 /nfs/dbraw/zinc/54/04/55/585540455.db2.gz WELBIIDZWKGXER-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CCOc1cccc(C[N@H+](CC=C)C(C)C)c1 ZINC000768548144 585540238 /nfs/dbraw/zinc/54/02/38/585540238.db2.gz WWFSITWZXFSMQS-UHFFFAOYSA-N 1 1 245.366 3.648 20 30 BHEDMO C=CC[N@@H+](Cc1cnc(C(C)C)s1)C(C)C ZINC000768548236 585540304 /nfs/dbraw/zinc/54/03/04/585540304.db2.gz YPGJSEDJTHSBRF-UHFFFAOYSA-N 1 1 238.400 3.663 20 30 BHEDMO C=CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000768548244 585540416 /nfs/dbraw/zinc/54/04/16/585540416.db2.gz YVDMHVOUKUNIPL-UHFFFAOYSA-N 1 1 243.272 3.500 20 30 BHEDMO C=CC[N@@H+](Cc1cccc(C)c1C)C(C)C ZINC000768548260 585540220 /nfs/dbraw/zinc/54/02/20/585540220.db2.gz ZDFRSFBWWUGSNO-UHFFFAOYSA-N 1 1 217.356 3.700 20 30 BHEDMO C=CC[N@@H+](C/C(C)=C/c1ccccc1)C(C)C ZINC000768548273 585540188 /nfs/dbraw/zinc/54/01/88/585540188.db2.gz ZYBFYJAOXYHDDP-NTCAYCPXSA-N 1 1 229.367 3.986 20 30 BHEDMO C=CC[N@@H+](C/C(C)=C\c1ccccc1)C(C)C ZINC000768548274 585540496 /nfs/dbraw/zinc/54/04/96/585540496.db2.gz ZYBFYJAOXYHDDP-QINSGFPZSA-N 1 1 229.367 3.986 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(Cl)c(F)c1)C(C)C ZINC000768549750 585540201 /nfs/dbraw/zinc/54/02/01/585540201.db2.gz DBEZHJWWJWLMCC-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=CC[N@@H+](Cc1cccc(Cl)c1F)C(C)C ZINC000768549943 585540478 /nfs/dbraw/zinc/54/04/78/585540478.db2.gz GWHZLGAKPQMTOH-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=CC[N@@H+](Cc1cnc2ccccc2c1)C(C)C ZINC000768549962 585540217 /nfs/dbraw/zinc/54/02/17/585540217.db2.gz HKANJKBBQNUXTL-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CC[N@@H+](Cc1cc(F)c(F)cc1F)C(C)C ZINC000768550269 585540186 /nfs/dbraw/zinc/54/01/86/585540186.db2.gz JDDYRRWOTHMDGH-UHFFFAOYSA-N 1 1 243.272 3.500 20 30 BHEDMO C=CC[N@H+](Cc1cc(F)c(F)cc1F)C(C)C ZINC000768550269 585540185 /nfs/dbraw/zinc/54/01/85/585540185.db2.gz JDDYRRWOTHMDGH-UHFFFAOYSA-N 1 1 243.272 3.500 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(C)c(F)c1)C(C)C ZINC000768550298 585540332 /nfs/dbraw/zinc/54/03/32/585540332.db2.gz JYDYXYKNWHACME-UHFFFAOYSA-N 1 1 221.319 3.531 20 30 BHEDMO C=CC[N@@H+](Cc1cccc2[nH]ccc21)C(C)C ZINC000768550314 585540446 /nfs/dbraw/zinc/54/04/46/585540446.db2.gz KSQSZACEZGTDKS-UHFFFAOYSA-N 1 1 228.339 3.564 20 30 BHEDMO C=CC[N@@H+](Cc1ccccc1C1CC1)C(C)C ZINC000768552540 585540398 /nfs/dbraw/zinc/54/03/98/585540398.db2.gz WDROWVDXWKMZAE-UHFFFAOYSA-N 1 1 229.367 3.960 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000768993094 585547242 /nfs/dbraw/zinc/54/72/42/585547242.db2.gz UUWIIRGEPNSHTD-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1cc[nH]n1 ZINC000768993201 585547337 /nfs/dbraw/zinc/54/73/37/585547337.db2.gz WIKQDMHOVBYVAH-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO C#CC[N@H+](CC)Cc1c(Cl)oc2ccccc21 ZINC000769105218 585549142 /nfs/dbraw/zinc/54/91/42/585549142.db2.gz LOGARYVHJRBFBV-UHFFFAOYSA-N 1 1 247.725 3.541 20 30 BHEDMO C#CC[N@@H+](CC)Cc1c(Cl)oc2ccccc21 ZINC000769105218 585549141 /nfs/dbraw/zinc/54/91/41/585549141.db2.gz LOGARYVHJRBFBV-UHFFFAOYSA-N 1 1 247.725 3.541 20 30 BHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccoc1 ZINC000769110402 585548941 /nfs/dbraw/zinc/54/89/41/585548941.db2.gz CLNQTXKDTYZJLF-UHFFFAOYSA-N 1 1 241.334 3.510 20 30 BHEDMO C#CC[N@@H+](Cc1ccsc1)C1CCCCC1 ZINC000769146385 585550120 /nfs/dbraw/zinc/55/01/20/585550120.db2.gz UGBLEGZGEZITFW-UHFFFAOYSA-N 1 1 233.380 3.516 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cc(C)ccc1O ZINC000769445050 585556654 /nfs/dbraw/zinc/55/66/54/585556654.db2.gz CYLQHEKDFXUVCT-UHFFFAOYSA-N 1 1 247.382 3.879 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000769447780 585556965 /nfs/dbraw/zinc/55/69/65/585556965.db2.gz XVZJEPFJRRHBSQ-UHFFFAOYSA-N 1 1 248.370 3.730 20 30 BHEDMO C=CCCCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000769447780 585556964 /nfs/dbraw/zinc/55/69/64/585556964.db2.gz XVZJEPFJRRHBSQ-UHFFFAOYSA-N 1 1 248.370 3.730 20 30 BHEDMO C=CC[N@H+](CCCCC(C)(C)C#N)C(C)C ZINC000769708891 585562342 /nfs/dbraw/zinc/56/23/42/585562342.db2.gz MJUWLRKPQPBYRW-UHFFFAOYSA-N 1 1 222.376 3.603 20 30 BHEDMO CCCCCCCC[N@H+]1CCC12CCOCC2 ZINC000769892835 585566322 /nfs/dbraw/zinc/56/63/22/585566322.db2.gz IVPINBPNFYFFLA-UHFFFAOYSA-N 1 1 239.403 3.602 20 30 BHEDMO C#CCCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769953510 585567275 /nfs/dbraw/zinc/56/72/75/585567275.db2.gz KWDYYMOVHDGVJN-CHWSQXEVSA-N 1 1 245.341 3.547 20 30 BHEDMO C#CCCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953515 585567284 /nfs/dbraw/zinc/56/72/84/585567284.db2.gz KWDYYMOVHDGVJN-OLZOCXBDSA-N 1 1 245.341 3.547 20 30 BHEDMO C#CCCC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769953516 585567291 /nfs/dbraw/zinc/56/72/91/585567291.db2.gz KWDYYMOVHDGVJN-QWHCGFSZSA-N 1 1 245.341 3.547 20 30 BHEDMO C#CCCC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769953519 585567172 /nfs/dbraw/zinc/56/71/72/585567172.db2.gz KWDYYMOVHDGVJN-STQMWFEESA-N 1 1 245.341 3.547 20 30 BHEDMO C#CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770000241 584974800 /nfs/dbraw/zinc/97/48/00/584974800.db2.gz AGWLURZMFOITFP-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770000241 584974799 /nfs/dbraw/zinc/97/47/99/584974799.db2.gz AGWLURZMFOITFP-AWEZNQCLSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770000242 584974852 /nfs/dbraw/zinc/97/48/52/584974852.db2.gz AGWLURZMFOITFP-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770000242 584974851 /nfs/dbraw/zinc/97/48/51/584974851.db2.gz AGWLURZMFOITFP-CQSZACIVSA-N 1 1 233.742 3.500 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770001628 585569184 /nfs/dbraw/zinc/56/91/84/585569184.db2.gz OLEJJSRQQZYZDZ-HNNXBMFYSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770001631 585569168 /nfs/dbraw/zinc/56/91/68/585569168.db2.gz OLEJJSRQQZYZDZ-OAHLLOKOSA-N 1 1 247.769 3.890 20 30 BHEDMO C#CC[N@H+](CC)[C@@H](C)CCSc1ccccc1 ZINC000770171738 585571399 /nfs/dbraw/zinc/57/13/99/585571399.db2.gz KNBJYTHWGLQORY-AWEZNQCLSA-N 1 1 247.407 3.512 20 30 BHEDMO C#CC[N@H+](CC)[C@H](C)CCSc1ccccc1 ZINC000770171740 585571271 /nfs/dbraw/zinc/57/12/71/585571271.db2.gz KNBJYTHWGLQORY-CQSZACIVSA-N 1 1 247.407 3.512 20 30 BHEDMO C#CC[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000770504403 585575153 /nfs/dbraw/zinc/57/51/53/585575153.db2.gz DWGGKSNHEKQGEQ-AWEZNQCLSA-N 1 1 227.351 3.625 20 30 BHEDMO C#CC[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000770504410 585575399 /nfs/dbraw/zinc/57/53/99/585575399.db2.gz DWGGKSNHEKQGEQ-CQSZACIVSA-N 1 1 227.351 3.625 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771463469 585594925 /nfs/dbraw/zinc/59/49/25/585594925.db2.gz KVJOPTKNDUUVMI-UHFFFAOYSA-N 1 1 247.769 3.837 20 30 BHEDMO C=C(Cl)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771463469 585594924 /nfs/dbraw/zinc/59/49/24/585594924.db2.gz KVJOPTKNDUUVMI-UHFFFAOYSA-N 1 1 247.769 3.837 20 30 BHEDMO C#CC[C@H](Nc1cccc(C)[nH+]1)c1ccccc1 ZINC000771757640 585599507 /nfs/dbraw/zinc/59/95/07/585599507.db2.gz VQFMHWOCXGIWKC-HNNXBMFYSA-N 1 1 236.318 3.567 20 30 BHEDMO C#CC[C@@H](Nc1cccc(C)[nH+]1)c1ccccc1 ZINC000771757643 585599692 /nfs/dbraw/zinc/59/96/92/585599692.db2.gz VQFMHWOCXGIWKC-OAHLLOKOSA-N 1 1 236.318 3.567 20 30 BHEDMO C=CC[N@@H+](Cc1cccc(F)c1Cl)C(C)C ZINC000772174219 585609524 /nfs/dbraw/zinc/60/95/24/585609524.db2.gz GEBRSCLLTUAISI-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=CC[N@H+](Cc1cccc(F)c1Cl)C(C)C ZINC000772174219 585609523 /nfs/dbraw/zinc/60/95/23/585609523.db2.gz GEBRSCLLTUAISI-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000773003282 585629177 /nfs/dbraw/zinc/62/91/77/585629177.db2.gz CLYQNFLFJUTSRU-LLVKDONJSA-N 1 1 246.741 3.638 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000773003285 585629161 /nfs/dbraw/zinc/62/91/61/585629161.db2.gz CLYQNFLFJUTSRU-NSHDSACASA-N 1 1 246.741 3.638 20 30 BHEDMO C=C(CC)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000773409217 585636304 /nfs/dbraw/zinc/63/63/04/585636304.db2.gz LBKXMJDPLDOBAX-CYBMUJFWSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000773409221 585636298 /nfs/dbraw/zinc/63/62/98/585636298.db2.gz LBKXMJDPLDOBAX-ZDUSSCGKSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(CC)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000773413415 585636489 /nfs/dbraw/zinc/63/64/89/585636489.db2.gz GDNHUHGHKJDTIU-UHFFFAOYSA-N 1 1 229.367 3.660 20 30 BHEDMO C=CC[N@H+](Cc1ccc(N(C)CC)cc1)C(C)C ZINC000773731507 585642923 /nfs/dbraw/zinc/64/29/23/585642923.db2.gz UUAKRELOTRSPLC-UHFFFAOYSA-N 1 1 246.398 3.539 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)CC)cc1 ZINC000773735004 585642870 /nfs/dbraw/zinc/64/28/70/585642870.db2.gz WBYZVIOWOKHUTO-UHFFFAOYSA-N 1 1 246.398 3.541 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773753598 644696408 /nfs/dbraw/zinc/69/64/08/644696408.db2.gz LDGKSHNSVADXPV-UHFFFAOYSA-N 1 1 246.398 3.541 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000773934951 585646666 /nfs/dbraw/zinc/64/66/66/585646666.db2.gz NWKGTGPOSVCRBQ-CYBMUJFWSA-N 1 1 237.774 3.610 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773935036 585646787 /nfs/dbraw/zinc/64/67/87/585646787.db2.gz NWKGTGPOSVCRBQ-ZDUSSCGKSA-N 1 1 237.774 3.610 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000773976821 585647669 /nfs/dbraw/zinc/64/76/69/585647669.db2.gz NLUBZWFCMRTOAM-NSHDSACASA-N 1 1 215.768 3.640 20 30 BHEDMO C=CC[C@@H]1[N@H+](Cc2ccoc2)CCCC1(C)C ZINC000775177935 585672883 /nfs/dbraw/zinc/67/28/83/585672883.db2.gz DPXMSIVMOCHBPN-AWEZNQCLSA-N 1 1 233.355 3.846 20 30 BHEDMO C=CC[C@H]1[N@H+](Cc2ccoc2)CCCC1(C)C ZINC000775177937 585672978 /nfs/dbraw/zinc/67/29/78/585672978.db2.gz DPXMSIVMOCHBPN-CQSZACIVSA-N 1 1 233.355 3.846 20 30 BHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000775178335 585672918 /nfs/dbraw/zinc/67/29/18/585672918.db2.gz GVVVNJSPAQLZHG-CYBMUJFWSA-N 1 1 241.334 3.503 20 30 BHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000775178336 585673235 /nfs/dbraw/zinc/67/32/35/585673235.db2.gz GVVVNJSPAQLZHG-ZDUSSCGKSA-N 1 1 241.334 3.503 20 30 BHEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCC=CO2)CCCC1(C)C ZINC000775179155 585672793 /nfs/dbraw/zinc/67/27/93/585672793.db2.gz LJMKTPAGYINBNJ-CABCVRRESA-N 1 1 249.398 3.746 20 30 BHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCC=CO2)CCCC1(C)C ZINC000775179156 585673259 /nfs/dbraw/zinc/67/32/59/585673259.db2.gz LJMKTPAGYINBNJ-GJZGRUSLSA-N 1 1 249.398 3.746 20 30 BHEDMO C=CC[C@H]1[N@H+](C[C@H]2CCC=CO2)CCCC1(C)C ZINC000775179157 585673124 /nfs/dbraw/zinc/67/31/24/585673124.db2.gz LJMKTPAGYINBNJ-HUUCEWRRSA-N 1 1 249.398 3.746 20 30 BHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCC=CO2)CCCC1(C)C ZINC000775179159 585673163 /nfs/dbraw/zinc/67/31/63/585673163.db2.gz LJMKTPAGYINBNJ-LSDHHAIUSA-N 1 1 249.398 3.746 20 30 BHEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](CCC)c1ccccc1 ZINC000775180526 585672942 /nfs/dbraw/zinc/67/29/42/585672942.db2.gz ZCSYDSVDNLNKDF-GDBMZVCRSA-N 1 1 229.367 3.524 20 30 BHEDMO C#C[C@H](C)[N@H+](C)C[C@@H](CCC)c1ccccc1 ZINC000775180527 585672888 /nfs/dbraw/zinc/67/28/88/585672888.db2.gz ZCSYDSVDNLNKDF-GOEBONIOSA-N 1 1 229.367 3.524 20 30 BHEDMO C#C[C@H](C)[N@H+](C)C[C@H](CCC)c1ccccc1 ZINC000775180528 585673229 /nfs/dbraw/zinc/67/32/29/585673229.db2.gz ZCSYDSVDNLNKDF-HOCLYGCPSA-N 1 1 229.367 3.524 20 30 BHEDMO C#C[C@@H](C)[N@H+](C)C[C@H](CCC)c1ccccc1 ZINC000775180529 585673102 /nfs/dbraw/zinc/67/31/02/585673102.db2.gz ZCSYDSVDNLNKDF-ZBFHGGJFSA-N 1 1 229.367 3.524 20 30 BHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000775183039 633846831 /nfs/dbraw/zinc/84/68/31/633846831.db2.gz GQPFWPKDBDVJNV-HNNXBMFYSA-N 1 1 249.357 3.807 20 30 BHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000775183040 633846548 /nfs/dbraw/zinc/84/65/48/633846548.db2.gz GQPFWPKDBDVJNV-OAHLLOKOSA-N 1 1 249.357 3.807 20 30 BHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000775183607 585673153 /nfs/dbraw/zinc/67/31/53/585673153.db2.gz PWHUITOWHLCMAL-JTQLQIEISA-N 1 1 247.725 3.540 20 30 BHEDMO C#C[C@H](C)[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000775183607 585673152 /nfs/dbraw/zinc/67/31/52/585673152.db2.gz PWHUITOWHLCMAL-JTQLQIEISA-N 1 1 247.725 3.540 20 30 BHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000775183621 585673233 /nfs/dbraw/zinc/67/32/33/585673233.db2.gz PWHUITOWHLCMAL-SNVBAGLBSA-N 1 1 247.725 3.540 20 30 BHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000775183621 585673232 /nfs/dbraw/zinc/67/32/32/585673232.db2.gz PWHUITOWHLCMAL-SNVBAGLBSA-N 1 1 247.725 3.540 20 30 BHEDMO C=C(C)CC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000775562481 585679549 /nfs/dbraw/zinc/67/95/49/585679549.db2.gz HDELOPODJJOWKY-CYBMUJFWSA-N 1 1 215.340 3.572 20 30 BHEDMO C=C(C)CC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000775562483 585679501 /nfs/dbraw/zinc/67/95/01/585679501.db2.gz HDELOPODJJOWKY-ZDUSSCGKSA-N 1 1 215.340 3.572 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000775573351 585680674 /nfs/dbraw/zinc/68/06/74/585680674.db2.gz XZXPJXGNEKPCCP-UHFFFAOYSA-N 1 1 248.757 3.608 20 30 BHEDMO C=CC[N@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000775573351 585680673 /nfs/dbraw/zinc/68/06/73/585680673.db2.gz XZXPJXGNEKPCCP-UHFFFAOYSA-N 1 1 248.757 3.608 20 30 BHEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000775576824 585680861 /nfs/dbraw/zinc/68/08/61/585680861.db2.gz FZIYIBYTSYSKQA-UHFFFAOYSA-N 1 1 244.382 3.718 20 30 BHEDMO C#CC[N@H+](CCC(=C)C)[C@H]1CCc2ccccc21 ZINC000775577212 585681066 /nfs/dbraw/zinc/68/10/66/585681066.db2.gz LISDSGWOQMGKTL-KRWDZBQOSA-N 1 1 239.362 3.575 20 30 BHEDMO C#CC[N@H+](CCC(=C)C)[C@@H]1CCc2ccccc21 ZINC000775577221 585681024 /nfs/dbraw/zinc/68/10/24/585681024.db2.gz LISDSGWOQMGKTL-QGZVFWFLSA-N 1 1 239.362 3.575 20 30 BHEDMO C=C(C)CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000775587257 585681051 /nfs/dbraw/zinc/68/10/51/585681051.db2.gz VHXFCUXUWJDKAD-UHFFFAOYSA-N 1 1 229.367 3.660 20 30 BHEDMO C=C(C)CC[N@H+](CCC)Cc1ccccc1O ZINC000775610848 585681307 /nfs/dbraw/zinc/68/13/07/585681307.db2.gz VKBWNKBDXNNMBQ-UHFFFAOYSA-N 1 1 233.355 3.570 20 30 BHEDMO C=CC[N@H+](C[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000775656652 585682267 /nfs/dbraw/zinc/68/22/67/585682267.db2.gz LTRIFPFZZYERJJ-AWEZNQCLSA-N 1 1 247.382 3.695 20 30 BHEDMO C=CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000775656653 585682551 /nfs/dbraw/zinc/68/25/51/585682551.db2.gz LTRIFPFZZYERJJ-CQSZACIVSA-N 1 1 247.382 3.695 20 30 BHEDMO C=CCCCCC[N@H+](C)Cc1cccc(C)c1O ZINC000775701563 585683230 /nfs/dbraw/zinc/68/32/30/585683230.db2.gz GTNCKJXAWWERNH-UHFFFAOYSA-N 1 1 247.382 3.879 20 30 BHEDMO CCCCCCCC[N@@H+]1CC=C(COC)CC1 ZINC000775828032 585685896 /nfs/dbraw/zinc/68/58/96/585685896.db2.gz VRRCTQWBLXPDOV-UHFFFAOYSA-N 1 1 239.403 3.625 20 30 BHEDMO C#CCC[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000775893572 585687169 /nfs/dbraw/zinc/68/71/69/585687169.db2.gz BJPOWVYPDICXSH-HNNXBMFYSA-N 1 1 229.367 3.525 20 30 BHEDMO C#CCC[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000775893574 585687211 /nfs/dbraw/zinc/68/72/11/585687211.db2.gz BJPOWVYPDICXSH-OAHLLOKOSA-N 1 1 229.367 3.525 20 30 BHEDMO C#CCCC[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000775895276 585687322 /nfs/dbraw/zinc/68/73/22/585687322.db2.gz KYPVBOIWXBDNAG-INIZCTEOSA-N 1 1 243.394 3.916 20 30 BHEDMO C#CCCC[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000775895277 585687178 /nfs/dbraw/zinc/68/71/78/585687178.db2.gz KYPVBOIWXBDNAG-MRXNPFEDSA-N 1 1 243.394 3.916 20 30 BHEDMO CCCCCCCCC[N@@H+](C)CC1(C#N)CC1 ZINC000775945215 585688352 /nfs/dbraw/zinc/68/83/52/585688352.db2.gz GXGYATFLKFFDPM-UHFFFAOYSA-N 1 1 236.403 3.973 20 30 BHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)Cc2ccccc21 ZINC000776579750 585701113 /nfs/dbraw/zinc/70/11/13/585701113.db2.gz PJHQCDOEEJCAKX-CYBMUJFWSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)Cc2ccccc21 ZINC000776579751 585700973 /nfs/dbraw/zinc/70/09/73/585700973.db2.gz PJHQCDOEEJCAKX-ZDUSSCGKSA-N 1 1 242.366 3.546 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000776598744 585702499 /nfs/dbraw/zinc/70/24/99/585702499.db2.gz VJFDSWTUSAGPLU-HNNXBMFYSA-N 1 1 241.419 3.584 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@]1(C)CCCO ZINC000776598746 585702501 /nfs/dbraw/zinc/70/25/01/585702501.db2.gz VJFDSWTUSAGPLU-OAHLLOKOSA-N 1 1 241.419 3.584 20 30 BHEDMO C=CC[N@@H+](Cc1cc(F)cc(Cl)c1)C(C)C ZINC000777219968 585709622 /nfs/dbraw/zinc/70/96/22/585709622.db2.gz CHOQVQFFLDDLRG-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=C(C)C[N@H+](CC)Cc1ccc(CF)cc1 ZINC000777543701 585714950 /nfs/dbraw/zinc/71/49/50/585714950.db2.gz NYNZQBGKPFOWSP-UHFFFAOYSA-N 1 1 221.319 3.554 20 30 BHEDMO C=CC[N@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000777548473 585714488 /nfs/dbraw/zinc/71/44/88/585714488.db2.gz SUHBDWGDAVMHSO-UHFFFAOYSA-N 1 1 247.382 3.616 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(CF)cc1)C(C)C ZINC000777559207 585715034 /nfs/dbraw/zinc/71/50/34/585715034.db2.gz VJYUZGFHIPMQGK-UHFFFAOYSA-N 1 1 221.319 3.553 20 30 BHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(CF)cc1 ZINC000777588937 585716216 /nfs/dbraw/zinc/71/62/16/585716216.db2.gz MKLXBMXYEQBSOB-UHFFFAOYSA-N 1 1 248.345 3.528 20 30 BHEDMO C=CCCC[N@H+](C)Cc1ccc(CF)cc1 ZINC000777589711 585716639 /nfs/dbraw/zinc/71/66/39/585716639.db2.gz VVCGOERWECRJLN-UHFFFAOYSA-N 1 1 221.319 3.554 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000777961053 585724490 /nfs/dbraw/zinc/72/44/90/585724490.db2.gz UICSTJPZAMETJE-UHFFFAOYSA-N 1 1 247.382 3.832 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000778226055 585728443 /nfs/dbraw/zinc/72/84/43/585728443.db2.gz OAHWFIAKYLNMMZ-AWEZNQCLSA-N 1 1 249.402 3.907 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000778226058 585728286 /nfs/dbraw/zinc/72/82/86/585728286.db2.gz OAHWFIAKYLNMMZ-CQSZACIVSA-N 1 1 249.402 3.907 20 30 BHEDMO C=CC[N@H+](CCCc1cccc(F)c1)C(C)C ZINC000778938048 585742380 /nfs/dbraw/zinc/74/23/80/585742380.db2.gz CAKBKLVYLOTREC-UHFFFAOYSA-N 1 1 235.346 3.655 20 30 BHEDMO C=CC[N@@H+](Cc1cc(F)ccc1C)C(C)C ZINC000778996889 585744046 /nfs/dbraw/zinc/74/40/46/585744046.db2.gz VNKAAPGPVKOZGL-UHFFFAOYSA-N 1 1 221.319 3.531 20 30 BHEDMO CCCCCCCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000779088544 585744883 /nfs/dbraw/zinc/74/48/83/585744883.db2.gz RZYJOPVXHLUUKX-GFCCVEGCSA-N 1 1 237.391 3.729 20 30 BHEDMO CCCCCCCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000779088566 585744941 /nfs/dbraw/zinc/74/49/41/585744941.db2.gz RZYJOPVXHLUUKX-LBPRGKRZSA-N 1 1 237.391 3.729 20 30 BHEDMO CCCCCCCC[N@@H+](C)CCc1ccncc1 ZINC000779599818 585757121 /nfs/dbraw/zinc/75/71/21/585757121.db2.gz ZTFWECDUDQAIEV-UHFFFAOYSA-N 1 1 248.414 3.916 20 30 BHEDMO C=CC[N@H+](CCCc1ccccc1OC)C(C)C ZINC000780284353 585776955 /nfs/dbraw/zinc/77/69/55/585776955.db2.gz CNWJMHSTEOPLCF-UHFFFAOYSA-N 1 1 247.382 3.524 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCc2ccccc21 ZINC000780287558 585776911 /nfs/dbraw/zinc/77/69/11/585776911.db2.gz MSGFWCATEWWGGG-HNNXBMFYSA-N 1 1 229.367 3.614 20 30 BHEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCc2ccccc21 ZINC000780287560 585777064 /nfs/dbraw/zinc/77/70/64/585777064.db2.gz MSGFWCATEWWGGG-OAHLLOKOSA-N 1 1 229.367 3.614 20 30 BHEDMO C=CC[N@@H+](C[C@@H]1CCc2ccccc21)C(C)C ZINC000780290180 585776883 /nfs/dbraw/zinc/77/68/83/585776883.db2.gz WTAHRAYUGLFGKY-HNNXBMFYSA-N 1 1 229.367 3.613 20 30 BHEDMO C=CC[N@@H+](C[C@H]1CCc2ccccc21)C(C)C ZINC000780290183 585777049 /nfs/dbraw/zinc/77/70/49/585777049.db2.gz WTAHRAYUGLFGKY-OAHLLOKOSA-N 1 1 229.367 3.613 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780400207 644730377 /nfs/dbraw/zinc/73/03/77/644730377.db2.gz SCYDZKHDFFORGV-GZKZCVOOSA-N 1 1 239.362 3.578 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780400208 644730099 /nfs/dbraw/zinc/73/00/99/644730099.db2.gz SCYDZKHDFFORGV-MUSGIIIZSA-N 1 1 239.362 3.578 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000780400209 585778661 /nfs/dbraw/zinc/77/86/61/585778661.db2.gz SCYDZKHDFFORGV-QOHRORDFSA-N 1 1 239.362 3.578 20 30 BHEDMO C#CCCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000780400210 585778688 /nfs/dbraw/zinc/77/86/88/585778688.db2.gz SCYDZKHDFFORGV-UJGDBWEASA-N 1 1 239.362 3.578 20 30 BHEDMO C=C(Cl)C[N@H+](CCC)Cc1ccc(C)cc1 ZINC000780942764 585787035 /nfs/dbraw/zinc/78/70/35/585787035.db2.gz DCKFYUXJAFXNGU-UHFFFAOYSA-N 1 1 237.774 3.960 20 30 BHEDMO C=CC[N@H+](Cc1ccccc1SC)C(C)C ZINC000781326918 585794875 /nfs/dbraw/zinc/79/48/75/585794875.db2.gz SYWACRONPJFQSX-UHFFFAOYSA-N 1 1 235.396 3.805 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781355109 585795097 /nfs/dbraw/zinc/79/50/97/585795097.db2.gz XFYGLSLGGOFCHN-GFCCVEGCSA-N 1 1 249.345 3.660 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781355110 585795156 /nfs/dbraw/zinc/79/51/56/585795156.db2.gz XFYGLSLGGOFCHN-LBPRGKRZSA-N 1 1 249.345 3.660 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1F)C(C)C ZINC000781884964 585804895 /nfs/dbraw/zinc/80/48/95/585804895.db2.gz NWCZVNZJUDQBJX-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=C(C)C[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000782192007 585811800 /nfs/dbraw/zinc/81/18/00/585811800.db2.gz RWBWAVQFKYAMTM-AWEZNQCLSA-N 1 1 235.758 3.835 20 30 BHEDMO C=C(C)C[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000782192009 585811767 /nfs/dbraw/zinc/81/17/67/585811767.db2.gz RWBWAVQFKYAMTM-CQSZACIVSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CC[N@@H+](Cc1cc(F)ccc1Cl)C(C)C ZINC000782485215 585818800 /nfs/dbraw/zinc/81/88/00/585818800.db2.gz ZGOHEJIAVVGISA-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO C=CC[N@H+](Cc1cc(F)ccc1Cl)C(C)C ZINC000782485215 585818799 /nfs/dbraw/zinc/81/87/99/585818799.db2.gz ZGOHEJIAVVGISA-UHFFFAOYSA-N 1 1 241.737 3.876 20 30 BHEDMO CCc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000782500591 585819300 /nfs/dbraw/zinc/81/93/00/585819300.db2.gz UUVBYYSYSJXMQV-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO C=CC[N@H+](CCCc1ccsc1)C(C)C ZINC000782907092 585825981 /nfs/dbraw/zinc/82/59/81/585825981.db2.gz IXLIEIJIIBSUNO-UHFFFAOYSA-N 1 1 223.385 3.577 20 30 BHEDMO CCCCCCCCO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000782914073 585826165 /nfs/dbraw/zinc/82/61/65/585826165.db2.gz YZRFDGVCGABNSR-CYBMUJFWSA-N 1 1 238.375 3.718 20 30 BHEDMO CCCCCCCCO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000782914075 585826152 /nfs/dbraw/zinc/82/61/52/585826152.db2.gz YZRFDGVCGABNSR-ZDUSSCGKSA-N 1 1 238.375 3.718 20 30 BHEDMO C#CC[N@@H+](CCCc1ccsc1)C1CCCC1 ZINC000782945416 585826347 /nfs/dbraw/zinc/82/63/47/585826347.db2.gz QLQCMMPWPKKFGC-UHFFFAOYSA-N 1 1 247.407 3.559 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@H](OC)CC1 ZINC000783018846 585827108 /nfs/dbraw/zinc/82/71/08/585827108.db2.gz SICPMWDXHVGMCJ-HNNXBMFYSA-N 1 1 241.419 3.848 20 30 BHEDMO CCCCCCCC[N@H+]1CCC[C@@H](OC)CC1 ZINC000783018848 585827099 /nfs/dbraw/zinc/82/70/99/585827099.db2.gz SICPMWDXHVGMCJ-OAHLLOKOSA-N 1 1 241.419 3.848 20 30 BHEDMO C=CC[N@@H+](Cc1cccc2cnccc21)C(C)C ZINC000783415139 585834685 /nfs/dbraw/zinc/83/46/85/585834685.db2.gz OSHNQEXCGPSUAI-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CC[N@H+](C(C)C)[C@H](C)Cc1ccsc1 ZINC000783415159 585834701 /nfs/dbraw/zinc/83/47/01/585834701.db2.gz PFNMFWBRUIYXOP-GFCCVEGCSA-N 1 1 223.385 3.576 20 30 BHEDMO C=CC[N@H+](C(C)C)[C@@H](C)Cc1ccsc1 ZINC000783415163 585834747 /nfs/dbraw/zinc/83/47/47/585834747.db2.gz PFNMFWBRUIYXOP-LBPRGKRZSA-N 1 1 223.385 3.576 20 30 BHEDMO C#CC[N@H+]([C@H](C)Cc1ccsc1)C1CCCC1 ZINC000783490174 585835646 /nfs/dbraw/zinc/83/56/46/585835646.db2.gz HONZHKJLJSJGFX-CYBMUJFWSA-N 1 1 247.407 3.557 20 30 BHEDMO C#CC[N@H+]([C@@H](C)Cc1ccsc1)C1CCCC1 ZINC000783490177 585835521 /nfs/dbraw/zinc/83/55/21/585835521.db2.gz HONZHKJLJSJGFX-ZDUSSCGKSA-N 1 1 247.407 3.557 20 30 BHEDMO C=CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000783529663 585836031 /nfs/dbraw/zinc/83/60/31/585836031.db2.gz NQPJGGJIDRSLDI-CYBMUJFWSA-N 1 1 235.346 3.826 20 30 BHEDMO C=CC[N@@H+](C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000783529665 585835996 /nfs/dbraw/zinc/83/59/96/585835996.db2.gz NQPJGGJIDRSLDI-ZDUSSCGKSA-N 1 1 235.346 3.826 20 30 BHEDMO C#CC[N@H+](C[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676732 585839901 /nfs/dbraw/zinc/83/99/01/585839901.db2.gz KNNKOHXKVRBWBA-GFCCVEGCSA-N 1 1 247.769 3.541 20 30 BHEDMO C#CC[N@H+](C[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676733 585839898 /nfs/dbraw/zinc/83/98/98/585839898.db2.gz KNNKOHXKVRBWBA-LBPRGKRZSA-N 1 1 247.769 3.541 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000784337785 585856202 /nfs/dbraw/zinc/85/62/02/585856202.db2.gz SAJBFHJXDBNMBK-UHFFFAOYSA-N 1 1 248.757 3.608 20 30 BHEDMO CCCCCCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784392819 585858162 /nfs/dbraw/zinc/85/81/62/585858162.db2.gz GNBQLQPKPTUVDE-SHTZXODSSA-N 1 1 241.419 3.582 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784455767 585860662 /nfs/dbraw/zinc/86/06/62/585860662.db2.gz WDCNVXMYKBVNGB-AWEZNQCLSA-N 1 1 222.376 3.582 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784455795 585860615 /nfs/dbraw/zinc/86/06/15/585860615.db2.gz WDCNVXMYKBVNGB-CQSZACIVSA-N 1 1 222.376 3.582 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000784480080 585861168 /nfs/dbraw/zinc/86/11/68/585861168.db2.gz MUNVAFKGLSKWFM-AWEZNQCLSA-N 1 1 235.758 3.537 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784480081 585860949 /nfs/dbraw/zinc/86/09/49/585860949.db2.gz MUNVAFKGLSKWFM-CQSZACIVSA-N 1 1 235.758 3.537 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000784481789 585861126 /nfs/dbraw/zinc/86/11/26/585861126.db2.gz REGNIRGRUPCLJY-AWEZNQCLSA-N 1 1 235.758 3.537 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000784481790 585860942 /nfs/dbraw/zinc/86/09/42/585860942.db2.gz REGNIRGRUPCLJY-CQSZACIVSA-N 1 1 235.758 3.537 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000784496870 585861306 /nfs/dbraw/zinc/86/13/06/585861306.db2.gz BYSPCIUZHNOWLN-INIZCTEOSA-N 1 1 241.378 3.506 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000784496877 585861644 /nfs/dbraw/zinc/86/16/44/585861644.db2.gz BYSPCIUZHNOWLN-MRXNPFEDSA-N 1 1 241.378 3.506 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000785631122 585876733 /nfs/dbraw/zinc/87/67/33/585876733.db2.gz WQROKZOTUWKPEV-HNNXBMFYSA-N 1 1 248.370 3.866 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000785631123 585876805 /nfs/dbraw/zinc/87/68/05/585876805.db2.gz WQROKZOTUWKPEV-OAHLLOKOSA-N 1 1 248.370 3.866 20 30 BHEDMO C=CCCCCC[N@H+](CC)CCc1ccccn1 ZINC000785730972 585879048 /nfs/dbraw/zinc/87/90/48/585879048.db2.gz UUXFVJGBOOYKPO-UHFFFAOYSA-N 1 1 246.398 3.692 20 30 BHEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000785766045 585880075 /nfs/dbraw/zinc/88/00/75/585880075.db2.gz JTPBZTVLGZPFLO-LLVKDONJSA-N 1 1 235.293 3.617 20 30 BHEDMO C=CCCCCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000785766048 585880223 /nfs/dbraw/zinc/88/02/23/585880223.db2.gz JTPBZTVLGZPFLO-NSHDSACASA-N 1 1 235.293 3.617 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000785998837 585885131 /nfs/dbraw/zinc/88/51/31/585885131.db2.gz OJDTXYPXOYJXNV-HNNXBMFYSA-N 1 1 233.330 3.697 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000785998839 585884824 /nfs/dbraw/zinc/88/48/24/585884824.db2.gz OJDTXYPXOYJXNV-OAHLLOKOSA-N 1 1 233.330 3.697 20 30 BHEDMO C=CCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000786102471 585887542 /nfs/dbraw/zinc/88/75/42/585887542.db2.gz QDKOXHZCASTGQV-UHFFFAOYSA-N 1 1 247.382 3.832 20 30 BHEDMO C=CCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000786102488 585887394 /nfs/dbraw/zinc/88/73/94/585887394.db2.gz ZQCULDYYSAZZGJ-UHFFFAOYSA-N 1 1 241.334 3.553 20 30 BHEDMO C#CCCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786124919 585887843 /nfs/dbraw/zinc/88/78/43/585887843.db2.gz KBAXNBDQIKTILL-DOTOQJQBSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000786124931 585887825 /nfs/dbraw/zinc/88/78/25/585887825.db2.gz KBAXNBDQIKTILL-NVXWUHKLSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786124933 585887811 /nfs/dbraw/zinc/88/78/11/585887811.db2.gz KBAXNBDQIKTILL-RDJZCZTQSA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000786124936 585887800 /nfs/dbraw/zinc/88/78/00/585887800.db2.gz KBAXNBDQIKTILL-WBVHZDCISA-N 1 1 241.378 3.586 20 30 BHEDMO C#CCCCOc1cc(C)[nH+]c2cc(C)ccc21 ZINC000786754994 585896992 /nfs/dbraw/zinc/89/69/92/585896992.db2.gz ZJYDUPZBSKPDHH-UHFFFAOYSA-N 1 1 239.318 3.644 20 30 BHEDMO C#CCCCOc1cc(C)[nH+]c2cccc(C)c21 ZINC000786758715 585896824 /nfs/dbraw/zinc/89/68/24/585896824.db2.gz SQHCRDCRUHHZGF-UHFFFAOYSA-N 1 1 239.318 3.644 20 30 BHEDMO C=CC[N@@H+](Cc1cc(Cl)cs1)C(C)C ZINC000787101064 585901487 /nfs/dbraw/zinc/90/14/87/585901487.db2.gz KPMKPKYESGWCIH-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2cnccc2c1)C(C)C ZINC000787102204 585901466 /nfs/dbraw/zinc/90/14/66/585901466.db2.gz OCTHPHJGLYROBR-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C=CC[N@@H+](Cc1sccc1Cl)C(C)C ZINC000787106001 585901405 /nfs/dbraw/zinc/90/14/05/585901405.db2.gz XFRRKPKHTOXXBB-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO C=CC[N@H+](Cc1sccc1Cl)C(C)C ZINC000787106001 585901404 /nfs/dbraw/zinc/90/14/04/585901404.db2.gz XFRRKPKHTOXXBB-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO CCc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000787251206 585903984 /nfs/dbraw/zinc/90/39/84/585903984.db2.gz JLFCLDIXLWOECT-UHFFFAOYSA-N 1 1 244.382 3.621 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000787309130 585906550 /nfs/dbraw/zinc/90/65/50/585906550.db2.gz HXNZQNPTOCYFJW-HNNXBMFYSA-N 1 1 245.366 3.550 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000787309134 585906686 /nfs/dbraw/zinc/90/66/86/585906686.db2.gz HXNZQNPTOCYFJW-OAHLLOKOSA-N 1 1 245.366 3.550 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000787367149 585908097 /nfs/dbraw/zinc/90/80/97/585908097.db2.gz XVVNBTTUKWHTIH-UHFFFAOYSA-N 1 1 242.366 3.956 20 30 BHEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc2ccccc21 ZINC000787996891 585918852 /nfs/dbraw/zinc/91/88/52/585918852.db2.gz BHENFEDSKWYFPD-UHFFFAOYSA-N 1 1 237.346 3.683 20 30 BHEDMO C#CCCC[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000789547908 585943847 /nfs/dbraw/zinc/94/38/47/585943847.db2.gz BPHRQQSSIZVBIX-UHFFFAOYSA-N 1 1 241.378 3.582 20 30 BHEDMO C=CC[N@@H+](Cc1cc2ccccc2[nH]1)C(C)C ZINC000789726464 585949140 /nfs/dbraw/zinc/94/91/40/585949140.db2.gz MRIUYBZINBVYFR-UHFFFAOYSA-N 1 1 228.339 3.564 20 30 BHEDMO C=C(C)C[N@@H+](C/C=C/Cl)Cc1ccccc1 ZINC000791565348 585983965 /nfs/dbraw/zinc/98/39/65/585983965.db2.gz AJWIBEWSMZJNRO-RMKNXTFCSA-N 1 1 235.758 3.817 20 30 BHEDMO C=C(C)C[N@@H+](C/C=C\Cl)Cc1ccccc1 ZINC000791565349 585984021 /nfs/dbraw/zinc/98/40/21/585984021.db2.gz AJWIBEWSMZJNRO-TWGQIWQCSA-N 1 1 235.758 3.817 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791604675 585985142 /nfs/dbraw/zinc/98/51/42/585985142.db2.gz LNBFZXIEQLIPBR-INIZCTEOSA-N 1 1 241.378 3.506 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791605452 585985041 /nfs/dbraw/zinc/98/50/41/585985041.db2.gz LNBFZXIEQLIPBR-MRXNPFEDSA-N 1 1 241.378 3.506 20 30 BHEDMO C=CC[N@@H+](Cc1ccsc1Cl)C(C)C ZINC000792162621 644792218 /nfs/dbraw/zinc/79/22/18/644792218.db2.gz OUVNCWYQZGYUIW-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO C=CC[N@H+](Cc1ccsc1Cl)C(C)C ZINC000792162621 644792214 /nfs/dbraw/zinc/79/22/14/644792214.db2.gz OUVNCWYQZGYUIW-UHFFFAOYSA-N 1 1 229.776 3.798 20 30 BHEDMO CC(C)[C@H](C)[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000792205533 585998215 /nfs/dbraw/zinc/99/82/15/585998215.db2.gz QNSRTZZMLZPLDT-HNNXBMFYSA-N 1 1 241.378 3.547 20 30 BHEDMO CC(C)[C@@H](C)[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000792205534 585998012 /nfs/dbraw/zinc/99/80/12/585998012.db2.gz QNSRTZZMLZPLDT-OAHLLOKOSA-N 1 1 241.378 3.547 20 30 BHEDMO CCCCCCCCC[N@H+]1CC[C@H](COC)C1 ZINC000792231968 585998317 /nfs/dbraw/zinc/99/83/17/585998317.db2.gz RSHJFKHTZKYIEC-HNNXBMFYSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCCCC[N@H+]1CC[C@@H](COC)C1 ZINC000792231969 585998391 /nfs/dbraw/zinc/99/83/91/585998391.db2.gz RSHJFKHTZKYIEC-OAHLLOKOSA-N 1 1 241.419 3.705 20 30 BHEDMO CCCCCCCCC[N@H+]1CCc2cn[nH]c2C1 ZINC000792252743 644795559 /nfs/dbraw/zinc/79/55/59/644795559.db2.gz CJENSQRSYJAUCW-UHFFFAOYSA-N 1 1 249.402 3.518 20 30 BHEDMO CCCCCCCCC[N@@H+]1CCc2cn[nH]c2C1 ZINC000792252743 644795554 /nfs/dbraw/zinc/79/55/54/644795554.db2.gz CJENSQRSYJAUCW-UHFFFAOYSA-N 1 1 249.402 3.518 20 30 BHEDMO CCCCCCCCC[N@H+]1CCc2c[nH]nc2C1 ZINC000792252743 644795550 /nfs/dbraw/zinc/79/55/50/644795550.db2.gz CJENSQRSYJAUCW-UHFFFAOYSA-N 1 1 249.402 3.518 20 30 BHEDMO CCCCCCCCC[N@H+]1CCc2n[nH]cc2C1 ZINC000792264516 644796438 /nfs/dbraw/zinc/79/64/38/644796438.db2.gz QDRYKHKHLMNRGG-UHFFFAOYSA-N 1 1 249.402 3.518 20 30 BHEDMO C=C(Cl)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000792923833 586007191 /nfs/dbraw/zinc/00/71/91/586007191.db2.gz HEOUBMNZKMBIHT-UHFFFAOYSA-N 1 1 223.747 3.606 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792929283 586006871 /nfs/dbraw/zinc/00/68/71/586006871.db2.gz ZEODKFKZNVLLKC-CABCVRRESA-N 1 1 239.403 3.600 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792929288 586007182 /nfs/dbraw/zinc/00/71/82/586007182.db2.gz ZEODKFKZNVLLKC-GJZGRUSLSA-N 1 1 239.403 3.600 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792929291 586006906 /nfs/dbraw/zinc/00/69/06/586006906.db2.gz ZEODKFKZNVLLKC-HUUCEWRRSA-N 1 1 239.403 3.600 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792929295 586007149 /nfs/dbraw/zinc/00/71/49/586007149.db2.gz ZEODKFKZNVLLKC-LSDHHAIUSA-N 1 1 239.403 3.600 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000792933341 586007260 /nfs/dbraw/zinc/00/72/60/586007260.db2.gz IUYHTRFLMLFJCB-UHFFFAOYSA-N 1 1 233.742 3.528 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792933341 586007259 /nfs/dbraw/zinc/00/72/59/586007259.db2.gz IUYHTRFLMLFJCB-UHFFFAOYSA-N 1 1 233.742 3.528 20 30 BHEDMO C=C(C)C[N@@H+](Cc1ccoc1)Cc1ccccc1 ZINC000793227219 586014891 /nfs/dbraw/zinc/01/48/91/586014891.db2.gz PPASCJIOGLDXQC-UHFFFAOYSA-N 1 1 241.334 3.858 20 30 BHEDMO C=CC[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000794565466 586043889 /nfs/dbraw/zinc/04/38/89/586043889.db2.gz KJDUNZMKVGQRQH-UHFFFAOYSA-N 1 1 246.741 3.506 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794611010 586044885 /nfs/dbraw/zinc/04/48/85/586044885.db2.gz WMXOJCSZLOIZCT-OLZOCXBDSA-N 1 1 245.357 3.934 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794611014 586044919 /nfs/dbraw/zinc/04/49/19/586044919.db2.gz WMXOJCSZLOIZCT-QWHCGFSZSA-N 1 1 245.357 3.934 20 30 BHEDMO C#CCCC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000794683958 586046553 /nfs/dbraw/zinc/04/65/53/586046553.db2.gz JPDKUKWQMOMGHP-HNNXBMFYSA-N 1 1 229.367 3.871 20 30 BHEDMO C#CCCC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000794683962 586046771 /nfs/dbraw/zinc/04/67/71/586046771.db2.gz JPDKUKWQMOMGHP-OAHLLOKOSA-N 1 1 229.367 3.871 20 30 BHEDMO C=C(Cl)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000795390017 586077024 /nfs/dbraw/zinc/07/70/24/586077024.db2.gz BUUOKTLPSVOOPX-UHFFFAOYSA-N 1 1 247.769 3.837 20 30 BHEDMO C=C(Cl)C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000795390017 586077022 /nfs/dbraw/zinc/07/70/22/586077022.db2.gz BUUOKTLPSVOOPX-UHFFFAOYSA-N 1 1 247.769 3.837 20 30 BHEDMO C=C(C)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000795391950 586077117 /nfs/dbraw/zinc/07/71/17/586077117.db2.gz UYOAWKGJJODUPF-UHFFFAOYSA-N 1 1 227.351 3.660 20 30 BHEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000795926267 586094760 /nfs/dbraw/zinc/09/47/60/586094760.db2.gz FAJIWQKAGOJAHI-AWEZNQCLSA-N 1 1 248.757 3.563 20 30 BHEDMO CC[N@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000795926267 586094759 /nfs/dbraw/zinc/09/47/59/586094759.db2.gz FAJIWQKAGOJAHI-AWEZNQCLSA-N 1 1 248.757 3.563 20 30 BHEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795926268 586094881 /nfs/dbraw/zinc/09/48/81/586094881.db2.gz FAJIWQKAGOJAHI-CQSZACIVSA-N 1 1 248.757 3.563 20 30 BHEDMO CC[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795926268 586094880 /nfs/dbraw/zinc/09/48/80/586094880.db2.gz FAJIWQKAGOJAHI-CQSZACIVSA-N 1 1 248.757 3.563 20 30 BHEDMO C=CCC[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000796029085 586096798 /nfs/dbraw/zinc/09/67/98/586096798.db2.gz XRFAEJGOSUAORD-AWEZNQCLSA-N 1 1 235.758 3.835 20 30 BHEDMO C=CCC[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796029086 586096716 /nfs/dbraw/zinc/09/67/16/586096716.db2.gz XRFAEJGOSUAORD-CQSZACIVSA-N 1 1 235.758 3.835 20 30 BHEDMO CCCCCCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000796196955 586098581 /nfs/dbraw/zinc/09/85/81/586098581.db2.gz XWSQTGULZRIHHK-HNNXBMFYSA-N 1 1 249.402 3.907 20 30 BHEDMO CCCCCCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000796196956 586098728 /nfs/dbraw/zinc/09/87/28/586098728.db2.gz XWSQTGULZRIHHK-OAHLLOKOSA-N 1 1 249.402 3.907 20 30 BHEDMO C#CCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000796257408 586099726 /nfs/dbraw/zinc/09/97/26/586099726.db2.gz WJLYPOWCJNNABL-UHFFFAOYSA-N 1 1 247.769 3.575 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796434458 644811624 /nfs/dbraw/zinc/81/16/24/644811624.db2.gz LUGIKOPQAFQGKW-DOTOQJQBSA-N 1 1 241.378 3.873 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796434460 644811660 /nfs/dbraw/zinc/81/16/60/644811660.db2.gz LUGIKOPQAFQGKW-NVXWUHKLSA-N 1 1 241.378 3.873 20 30 BHEDMO C#CCCC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796434461 644812116 /nfs/dbraw/zinc/81/21/16/644812116.db2.gz LUGIKOPQAFQGKW-RDJZCZTQSA-N 1 1 241.378 3.873 20 30 BHEDMO C#CCCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796434463 644811836 /nfs/dbraw/zinc/81/18/36/644811836.db2.gz LUGIKOPQAFQGKW-WBVHZDCISA-N 1 1 241.378 3.873 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1c[nH]cn1 ZINC000796460015 586104243 /nfs/dbraw/zinc/10/42/43/586104243.db2.gz ZGSLGFDRTFNZGU-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO CCCCCCCCC[N@H+](C)Cc1c[nH]cn1 ZINC000796460015 586104242 /nfs/dbraw/zinc/10/42/42/586104242.db2.gz ZGSLGFDRTFNZGU-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO CCCCCCCCC[N@@H+](C)Cc1cnc[nH]1 ZINC000796460015 586104241 /nfs/dbraw/zinc/10/42/41/586104241.db2.gz ZGSLGFDRTFNZGU-UHFFFAOYSA-N 1 1 237.391 3.592 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000796500520 586105342 /nfs/dbraw/zinc/10/53/42/586105342.db2.gz NSMRAAFUJVMUOZ-HNNXBMFYSA-N 1 1 241.419 3.848 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000796500524 586105549 /nfs/dbraw/zinc/10/55/49/586105549.db2.gz NSMRAAFUJVMUOZ-OAHLLOKOSA-N 1 1 241.419 3.848 20 30 BHEDMO CCCCCCC[N@@H+](C)Cc1cnccc1C ZINC000796509909 586105643 /nfs/dbraw/zinc/10/56/43/586105643.db2.gz OJQINOUALJEJBV-UHFFFAOYSA-N 1 1 234.387 3.792 20 30 BHEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000796621669 586108424 /nfs/dbraw/zinc/10/84/24/586108424.db2.gz UGPYRHBGGYHXPC-BXUZGUMPSA-N 1 1 235.758 3.822 20 30 BHEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000796621671 586108630 /nfs/dbraw/zinc/10/86/30/586108630.db2.gz UGPYRHBGGYHXPC-FZMZJTMJSA-N 1 1 235.758 3.822 20 30 BHEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000796621673 586108684 /nfs/dbraw/zinc/10/86/84/586108684.db2.gz UGPYRHBGGYHXPC-RISCZKNCSA-N 1 1 235.758 3.822 20 30 BHEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000796621674 586108657 /nfs/dbraw/zinc/10/86/57/586108657.db2.gz UGPYRHBGGYHXPC-SMDDNHRTSA-N 1 1 235.758 3.822 20 30 BHEDMO C=CCCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796975482 586118104 /nfs/dbraw/zinc/11/81/04/586118104.db2.gz DCTVTEUEZGZGJN-CYBMUJFWSA-N 1 1 237.318 3.538 20 30 BHEDMO C=CCCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796975484 586118129 /nfs/dbraw/zinc/11/81/29/586118129.db2.gz DCTVTEUEZGZGJN-ZDUSSCGKSA-N 1 1 237.318 3.538 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799191892 586166065 /nfs/dbraw/zinc/16/60/65/586166065.db2.gz UWDTWHGOFQGDQR-HNNXBMFYSA-N 1 1 246.398 3.841 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799191893 586166842 /nfs/dbraw/zinc/16/68/42/586166842.db2.gz UWDTWHGOFQGDQR-OAHLLOKOSA-N 1 1 246.398 3.841 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799195972 586167057 /nfs/dbraw/zinc/16/70/57/586167057.db2.gz MZOVPLSSMIOQNJ-HNNXBMFYSA-N 1 1 244.382 3.617 20 30 BHEDMO C=CCCCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799195974 586167076 /nfs/dbraw/zinc/16/70/76/586167076.db2.gz MZOVPLSSMIOQNJ-OAHLLOKOSA-N 1 1 244.382 3.617 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000799343157 586172441 /nfs/dbraw/zinc/17/24/41/586172441.db2.gz BGHSWZSITKQBIJ-CABCVRRESA-N 1 1 241.419 3.846 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000799343158 586172969 /nfs/dbraw/zinc/17/29/69/586172969.db2.gz BGHSWZSITKQBIJ-GJZGRUSLSA-N 1 1 241.419 3.846 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000799343159 586172757 /nfs/dbraw/zinc/17/27/57/586172757.db2.gz BGHSWZSITKQBIJ-HUUCEWRRSA-N 1 1 241.419 3.846 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000799343160 586172371 /nfs/dbraw/zinc/17/23/71/586172371.db2.gz BGHSWZSITKQBIJ-LSDHHAIUSA-N 1 1 241.419 3.846 20 30 BHEDMO C=C(C)C[N@H+](CCCC)Cc1ccccc1O ZINC000801594692 586265436 /nfs/dbraw/zinc/26/54/36/586265436.db2.gz KXDIYEMRPUPSCR-UHFFFAOYSA-N 1 1 233.355 3.570 20 30 BHEDMO C=C(C)CC[N@H+](CCCC)Cc1ccccc1O ZINC000801595110 586265549 /nfs/dbraw/zinc/26/55/49/586265549.db2.gz IFNGWCGBVNWMLU-UHFFFAOYSA-N 1 1 247.382 3.961 20 30 BHEDMO C=CCCC[N@H+](CCCC)Cc1ccccc1O ZINC000801597770 586266283 /nfs/dbraw/zinc/26/62/83/586266283.db2.gz OIYNOPICKYNRMO-UHFFFAOYSA-N 1 1 247.382 3.961 20 30 BHEDMO C=CCC[N@H+](CCCC)Cc1ccccc1O ZINC000801598646 586266014 /nfs/dbraw/zinc/26/60/14/586266014.db2.gz DOHQQAUEQQCSCD-UHFFFAOYSA-N 1 1 233.355 3.570 20 30 BHEDMO C=C(Cl)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000801600771 586265938 /nfs/dbraw/zinc/26/59/38/586265938.db2.gz NLUBZWFCMRTOAM-LLVKDONJSA-N 1 1 215.768 3.640 20 30 BHEDMO C=C(Cl)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801602446 586265885 /nfs/dbraw/zinc/26/58/85/586265885.db2.gz INHMKLJZADYRKA-UHFFFAOYSA-N 1 1 237.730 3.511 20 30 BHEDMO C=C(Cl)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801602446 586265882 /nfs/dbraw/zinc/26/58/82/586265882.db2.gz INHMKLJZADYRKA-UHFFFAOYSA-N 1 1 237.730 3.511 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CCSC(C)(C)C ZINC000801951147 586282560 /nfs/dbraw/zinc/28/25/60/586282560.db2.gz BOCJLWPREDYCKV-GFCCVEGCSA-N 1 1 227.417 3.559 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CCSC(C)(C)C ZINC000801951148 586282895 /nfs/dbraw/zinc/28/28/95/586282895.db2.gz BOCJLWPREDYCKV-LBPRGKRZSA-N 1 1 227.417 3.559 20 30 BHEDMO CCCCCCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801987052 586285200 /nfs/dbraw/zinc/28/52/00/586285200.db2.gz ODMZGBOIHBJLKP-LBPRGKRZSA-N 1 1 249.345 3.660 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805839178 585909740 /nfs/dbraw/zinc/90/97/40/585909740.db2.gz OGQKHYLOLHQVNB-KBPBESRZSA-N 1 1 221.388 3.546 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805839193 585909763 /nfs/dbraw/zinc/90/97/63/585909763.db2.gz OGQKHYLOLHQVNB-KGLIPLIRSA-N 1 1 221.388 3.546 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805839195 585909821 /nfs/dbraw/zinc/90/98/21/585909821.db2.gz OGQKHYLOLHQVNB-UONOGXRCSA-N 1 1 221.388 3.546 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805839196 585909705 /nfs/dbraw/zinc/90/97/05/585909705.db2.gz OGQKHYLOLHQVNB-ZIAGYGMSSA-N 1 1 221.388 3.546 20 30 BHEDMO C#CCCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805839518 585909885 /nfs/dbraw/zinc/90/98/85/585909885.db2.gz QRHVOIJIBPFIFV-CYBMUJFWSA-N 1 1 233.380 3.544 20 30 BHEDMO C#CCCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805839525 585909927 /nfs/dbraw/zinc/90/99/27/585909927.db2.gz QRHVOIJIBPFIFV-ZDUSSCGKSA-N 1 1 233.380 3.544 20 30 BHEDMO C=CCCCCCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000806167715 586407123 /nfs/dbraw/zinc/40/71/23/586407123.db2.gz GSMGESNYLBMSIA-GFCCVEGCSA-N 1 1 235.375 3.505 20 30 BHEDMO C=CCCCCCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000806167716 586406689 /nfs/dbraw/zinc/40/66/89/586406689.db2.gz GSMGESNYLBMSIA-LBPRGKRZSA-N 1 1 235.375 3.505 20 30 BHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2C)cc1 ZINC000809538167 586506441 /nfs/dbraw/zinc/50/64/41/586506441.db2.gz IRJRZHIAMNUCHH-UHFFFAOYSA-N 1 1 249.357 3.608 20 30 BHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000809539463 644889275 /nfs/dbraw/zinc/88/92/75/644889275.db2.gz SVYQWCFZCVGSNO-GOSISDBHSA-N 1 1 247.341 3.615 20 30 BHEDMO C#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000809539464 644889028 /nfs/dbraw/zinc/88/90/28/644889028.db2.gz SVYQWCFZCVGSNO-SFHVURJKSA-N 1 1 247.341 3.615 20 30 BHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000809539870 644889913 /nfs/dbraw/zinc/88/99/13/644889913.db2.gz CTJQBLKTHJRAHH-HNNXBMFYSA-N 1 1 249.357 3.861 20 30 BHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000809539871 644889104 /nfs/dbraw/zinc/88/91/04/644889104.db2.gz CTJQBLKTHJRAHH-OAHLLOKOSA-N 1 1 249.357 3.861 20 30 BHEDMO C#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000809546807 586506598 /nfs/dbraw/zinc/50/65/98/586506598.db2.gz XTAIEEAATKFKKL-UHFFFAOYSA-N 1 1 239.362 3.575 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2occc2c1)C(C)C ZINC000809547167 586506640 /nfs/dbraw/zinc/50/66/40/586506640.db2.gz MBZPUXSKVIUSCM-UHFFFAOYSA-N 1 1 229.323 3.829 20 30 BHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000809547443 586506691 /nfs/dbraw/zinc/50/66/91/586506691.db2.gz PZFFNFKMBQILJK-CYBMUJFWSA-N 1 1 229.367 3.534 20 30 BHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000809547444 586506724 /nfs/dbraw/zinc/50/67/24/586506724.db2.gz PZFFNFKMBQILJK-ZDUSSCGKSA-N 1 1 229.367 3.534 20 30 BHEDMO CCCCCCC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045184 586532417 /nfs/dbraw/zinc/53/24/17/586532417.db2.gz GVNZVZHNWRUODK-GFCCVEGCSA-N 1 1 233.346 3.934 20 30 BHEDMO CCCCCCC[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045185 586532877 /nfs/dbraw/zinc/53/28/77/586532877.db2.gz GVNZVZHNWRUODK-LBPRGKRZSA-N 1 1 233.346 3.934 20 30 BHEDMO CCCCCCCCC[NH2+]Cc1n[nH]cc1C ZINC000810126354 586535059 /nfs/dbraw/zinc/53/50/59/586535059.db2.gz WVKFWRTYEPNFLA-UHFFFAOYSA-N 1 1 237.391 3.558 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000810226033 586537510 /nfs/dbraw/zinc/53/75/10/586537510.db2.gz SRVVYMVQRVBBRJ-LLVKDONJSA-N 1 1 246.741 3.638 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000810226034 586537427 /nfs/dbraw/zinc/53/74/27/586537427.db2.gz SRVVYMVQRVBBRJ-NSHDSACASA-N 1 1 246.741 3.638 20 30 BHEDMO C=CCCCCCCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000810243187 586537475 /nfs/dbraw/zinc/53/74/75/586537475.db2.gz MIXMEMVQBXVFHN-CYBMUJFWSA-N 1 1 249.402 3.895 20 30 BHEDMO C=CCCCCCCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000810243190 586537117 /nfs/dbraw/zinc/53/71/17/586537117.db2.gz MIXMEMVQBXVFHN-ZDUSSCGKSA-N 1 1 249.402 3.895 20 30 BHEDMO C=CC[N@H+](Cc1ccc(SC)s1)C(C)C ZINC000811456446 586559154 /nfs/dbraw/zinc/55/91/54/586559154.db2.gz OXPYFRORVGNSPO-UHFFFAOYSA-N 1 1 241.425 3.866 20 30 BHEDMO C=C(C)C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000811487671 586559942 /nfs/dbraw/zinc/55/99/42/586559942.db2.gz RLAOLFGNFLXSPN-UHFFFAOYSA-N 1 1 241.737 3.530 20 30 BHEDMO C=CCC[N@H+](C)CCc1ccc(F)cc1Cl ZINC000811494775 586559901 /nfs/dbraw/zinc/55/99/01/586559901.db2.gz VFKJXEJQGIWOFX-UHFFFAOYSA-N 1 1 241.737 3.530 20 30 BHEDMO C#Cc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1 ZINC000811517870 586560486 /nfs/dbraw/zinc/56/04/86/586560486.db2.gz CEDBAJGXGFHVAD-UHFFFAOYSA-N 1 1 248.329 3.552 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814668236 586627692 /nfs/dbraw/zinc/62/76/92/586627692.db2.gz MTBDMPUFCPKMIO-AWEZNQCLSA-N 1 1 247.769 3.543 20 30 BHEDMO C#CCCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814668237 586627720 /nfs/dbraw/zinc/62/77/20/586627720.db2.gz MTBDMPUFCPKMIO-CQSZACIVSA-N 1 1 247.769 3.543 20 30 BHEDMO CCCCCCCC[N@@H+](C)CC(C)(C)C#N ZINC000814670119 586628553 /nfs/dbraw/zinc/62/85/53/586628553.db2.gz MPTNBUMCDCDTEW-UHFFFAOYSA-N 1 1 224.392 3.828 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(C(C)C)nc1C)C(C)C ZINC000815021860 586664729 /nfs/dbraw/zinc/66/47/29/586664729.db2.gz UZWTWAMLIVGCDP-UHFFFAOYSA-N 1 1 246.398 3.910 20 30 BHEDMO CCCCCCC[N@@H+](C)Cc1conc1CC ZINC000815170077 586672208 /nfs/dbraw/zinc/67/22/08/586672208.db2.gz LYHARDWVGBOVSU-UHFFFAOYSA-N 1 1 238.375 3.639 20 30 BHEDMO C=C(C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816564970 586741193 /nfs/dbraw/zinc/74/11/93/586741193.db2.gz XBZCGFSYIAOXRO-UHFFFAOYSA-N 1 1 241.334 3.553 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816588417 586743320 /nfs/dbraw/zinc/74/33/20/586743320.db2.gz NUNDBUKGFFWNFX-UHFFFAOYSA-N 1 1 241.334 3.553 20 30 BHEDMO C#Cc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1 ZINC000816636031 586745906 /nfs/dbraw/zinc/74/59/06/586745906.db2.gz CLHFJHNLQIDNPT-UHFFFAOYSA-N 1 1 248.329 3.552 20 30 BHEDMO C#CCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000817288284 586793461 /nfs/dbraw/zinc/79/34/61/586793461.db2.gz WVCFFLMVTBIXBU-GFCCVEGCSA-N 1 1 221.369 3.543 20 30 BHEDMO C#CCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000817288301 586792600 /nfs/dbraw/zinc/79/26/00/586792600.db2.gz WVCFFLMVTBIXBU-LBPRGKRZSA-N 1 1 221.369 3.543 20 30 BHEDMO CCc1cccc(C)c1N[NH2+]C=CC(F)(F)F ZINC000817327561 586794520 /nfs/dbraw/zinc/79/45/20/586794520.db2.gz LFUYEENIBQOBMF-UHFFFAOYSA-N 1 1 244.260 3.908 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822977194 587196363 /nfs/dbraw/zinc/19/63/63/587196363.db2.gz QAZLNJPJIFLMJY-GHMZBOCLSA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822977196 587196146 /nfs/dbraw/zinc/19/61/46/587196146.db2.gz QAZLNJPJIFLMJY-MNOVXSKESA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822977198 587196377 /nfs/dbraw/zinc/19/63/77/587196377.db2.gz QAZLNJPJIFLMJY-QWRGUYRKSA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822977200 587196163 /nfs/dbraw/zinc/19/61/63/587196163.db2.gz QAZLNJPJIFLMJY-WDEREUQCSA-N 1 1 248.197 3.611 20 30 BHEDMO CCCCCCCC[N@H+]1Cc2cccnc2C1 ZINC000823001076 587197680 /nfs/dbraw/zinc/19/76/80/587197680.db2.gz JSXZMEUHXKBMPU-UHFFFAOYSA-N 1 1 232.371 3.758 20 30 BHEDMO CCCCCCCC[N@@H+]1Cc2cccnc2C1 ZINC000823001076 587197678 /nfs/dbraw/zinc/19/76/78/587197678.db2.gz JSXZMEUHXKBMPU-UHFFFAOYSA-N 1 1 232.371 3.758 20 30 BHEDMO C=CC[N@@H+](Cc1ccc(F)c(F)c1F)C(C)C ZINC000824580531 587277783 /nfs/dbraw/zinc/27/77/83/587277783.db2.gz HCLUFQBLULIOAR-UHFFFAOYSA-N 1 1 243.272 3.500 20 30 BHEDMO C=CC[N@H+](Cc1ccc(F)c(F)c1F)C(C)C ZINC000824580531 587277782 /nfs/dbraw/zinc/27/77/82/587277782.db2.gz HCLUFQBLULIOAR-UHFFFAOYSA-N 1 1 243.272 3.500 20 30 BHEDMO C=CC[N@@H+](Cc1cc2ccncc2s1)C(C)C ZINC000824582257 587278231 /nfs/dbraw/zinc/27/82/31/587278231.db2.gz ZYUDLCPKSXGLNN-UHFFFAOYSA-N 1 1 246.379 3.693 20 30 BHEDMO C#CCCCCNc1[nH+]ccc2cc(F)ccc21 ZINC000825832418 587340921 /nfs/dbraw/zinc/34/09/21/587340921.db2.gz QVTPHFDIQHGYIR-UHFFFAOYSA-N 1 1 242.297 3.589 20 30 BHEDMO C=CC[N@H+](CCCC(=O)c1ccccc1)C(C)C ZINC000827438287 587381416 /nfs/dbraw/zinc/38/14/16/587381416.db2.gz NZIRGRIBGZMCQR-UHFFFAOYSA-N 1 1 245.366 3.546 20 30 BHEDMO CC(C)c1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000827650503 645082443 /nfs/dbraw/zinc/08/24/43/645082443.db2.gz QXUSLLOAZLFJBX-INIZCTEOSA-N 1 1 242.366 3.546 20 30 BHEDMO CC(C)c1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000827650515 645083346 /nfs/dbraw/zinc/08/33/46/645083346.db2.gz QXUSLLOAZLFJBX-MRXNPFEDSA-N 1 1 242.366 3.546 20 30 BHEDMO C=CCCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000827991107 587415401 /nfs/dbraw/zinc/41/54/01/587415401.db2.gz MFHLEQJSCLZBKO-UHFFFAOYSA-N 1 1 238.762 3.523 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829312559 587492392 /nfs/dbraw/zinc/49/23/92/587492392.db2.gz CLTXCMBJGQNGLT-GHMZBOCLSA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829312561 587492453 /nfs/dbraw/zinc/49/24/53/587492453.db2.gz CLTXCMBJGQNGLT-MNOVXSKESA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000829312562 587492183 /nfs/dbraw/zinc/49/21/83/587492183.db2.gz CLTXCMBJGQNGLT-QWRGUYRKSA-N 1 1 248.197 3.611 20 30 BHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000829312564 587492399 /nfs/dbraw/zinc/49/23/99/587492399.db2.gz CLTXCMBJGQNGLT-WDEREUQCSA-N 1 1 248.197 3.611 20 30 BHEDMO C=C(Cl)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000829721128 587511890 /nfs/dbraw/zinc/51/18/90/587511890.db2.gz RXCJATHGPAJAAC-UHFFFAOYSA-N 1 1 239.721 3.547 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000829774897 587515361 /nfs/dbraw/zinc/51/53/61/587515361.db2.gz WAXZAGMPHJUAKS-KBPBESRZSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000829774899 587514982 /nfs/dbraw/zinc/51/49/82/587514982.db2.gz WAXZAGMPHJUAKS-KGLIPLIRSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000829774900 587514873 /nfs/dbraw/zinc/51/48/73/587514873.db2.gz WAXZAGMPHJUAKS-UONOGXRCSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000829774902 587515163 /nfs/dbraw/zinc/51/51/63/587515163.db2.gz WAXZAGMPHJUAKS-ZIAGYGMSSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000829779152 587515594 /nfs/dbraw/zinc/51/55/94/587515594.db2.gz OOIIHVFJYGJDSN-KBPBESRZSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000829779153 587515668 /nfs/dbraw/zinc/51/56/68/587515668.db2.gz OOIIHVFJYGJDSN-KGLIPLIRSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000829779154 587515489 /nfs/dbraw/zinc/51/54/89/587515489.db2.gz OOIIHVFJYGJDSN-UONOGXRCSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000829779155 587515878 /nfs/dbraw/zinc/51/58/78/587515878.db2.gz OOIIHVFJYGJDSN-ZIAGYGMSSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000829779345 587515915 /nfs/dbraw/zinc/51/59/15/587515915.db2.gz RAOKMWCEYIBCMY-KBPBESRZSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000829779346 587515760 /nfs/dbraw/zinc/51/57/60/587515760.db2.gz RAOKMWCEYIBCMY-KGLIPLIRSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000829779347 587515806 /nfs/dbraw/zinc/51/58/06/587515806.db2.gz RAOKMWCEYIBCMY-UONOGXRCSA-N 1 1 245.341 3.622 20 30 BHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000829779348 587515587 /nfs/dbraw/zinc/51/55/87/587515587.db2.gz RAOKMWCEYIBCMY-ZIAGYGMSSA-N 1 1 245.341 3.622 20 30 BHEDMO C=C(Cl)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000829905651 587527721 /nfs/dbraw/zinc/52/77/21/587527721.db2.gz YVIIXKVZYLJYFS-UHFFFAOYSA-N 1 1 239.721 3.547 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517886 587664535 /nfs/dbraw/zinc/66/45/35/587664535.db2.gz RCKPNHWRFOTUAN-HNNXBMFYSA-N 1 1 249.304 3.515 20 30 BHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517887 587664694 /nfs/dbraw/zinc/66/46/94/587664694.db2.gz RCKPNHWRFOTUAN-OAHLLOKOSA-N 1 1 249.304 3.515 20 30 BHEDMO C=C(C)CC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000834883930 587769309 /nfs/dbraw/zinc/76/93/09/587769309.db2.gz VELWUWLDAGXRKF-CYBMUJFWSA-N 1 1 237.318 3.538 20 30 BHEDMO C=C(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834883933 587769257 /nfs/dbraw/zinc/76/92/57/587769257.db2.gz VELWUWLDAGXRKF-ZDUSSCGKSA-N 1 1 237.318 3.538 20 30 BHEDMO C=C(CC)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000834904144 587769809 /nfs/dbraw/zinc/76/98/09/587769809.db2.gz VPIPQKQAJODZMO-CYBMUJFWSA-N 1 1 237.318 3.538 20 30 BHEDMO C=C(CC)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834904145 587769811 /nfs/dbraw/zinc/76/98/11/587769811.db2.gz VPIPQKQAJODZMO-ZDUSSCGKSA-N 1 1 237.318 3.538 20 30 BHEDMO C#CCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127556 585093358 /nfs/dbraw/zinc/09/33/58/585093358.db2.gz UUWADDPZEQFXHE-INIZCTEOSA-N 1 1 239.362 3.627 20 30 BHEDMO C#CCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127558 585093341 /nfs/dbraw/zinc/09/33/41/585093341.db2.gz UUWADDPZEQFXHE-MRXNPFEDSA-N 1 1 239.362 3.627 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839172058 585096372 /nfs/dbraw/zinc/09/63/72/585096372.db2.gz BHLQVSXNAJYPCM-DLBZAZTESA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839172059 585096487 /nfs/dbraw/zinc/09/64/87/585096487.db2.gz BHLQVSXNAJYPCM-IAGOWNOFSA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839172060 585096445 /nfs/dbraw/zinc/09/64/45/585096445.db2.gz BHLQVSXNAJYPCM-IRXDYDNUSA-N 1 1 241.378 3.668 20 30 BHEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839172061 585096481 /nfs/dbraw/zinc/09/64/81/585096481.db2.gz BHLQVSXNAJYPCM-SJORKVTESA-N 1 1 241.378 3.668 20 30 BHEDMO C=CC[N@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000839467386 585104836 /nfs/dbraw/zinc/10/48/36/585104836.db2.gz STPILPQDOLTDBA-UHFFFAOYSA-N 1 1 234.387 3.747 20 30 BHEDMO C=C(Cl)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000839539604 585330022 /nfs/dbraw/zinc/33/00/22/585330022.db2.gz DBYAJZJAOGYCJT-UHFFFAOYSA-N 1 1 242.149 3.671 20 30 BHEDMO C=C(Cl)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000839542941 585329914 /nfs/dbraw/zinc/32/99/14/585329914.db2.gz WRJUCKJSOKZOIY-UHFFFAOYSA-N 1 1 242.149 3.671 20 30 BHEDMO C=C(Cl)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000839543671 585330056 /nfs/dbraw/zinc/33/00/56/585330056.db2.gz VYUGYDWVBHTUQT-UHFFFAOYSA-N 1 1 245.700 3.542 20 30 BHEDMO CC([NH2+]Nc1ccccc1Cl)=C1CC1(F)F ZINC000841602249 587959339 /nfs/dbraw/zinc/95/93/39/587959339.db2.gz FDODDCJOOVBAAL-MRVPVSSYSA-N 1 1 244.672 3.783 20 30 BHEDMO CC([NH2+]Nc1ccccc1Cl)=C1CC1(F)F ZINC000841602250 587959310 /nfs/dbraw/zinc/95/93/10/587959310.db2.gz FDODDCJOOVBAAL-QMMMGPOBSA-N 1 1 244.672 3.783 20 30 BHEDMO CC([NH2+]Nc1cc(C)ccc1F)=C1CC1(F)F ZINC000841629880 587962155 /nfs/dbraw/zinc/96/21/55/587962155.db2.gz XXJNXNGXBJBMRW-SECBINFHSA-N 1 1 242.244 3.577 20 30 BHEDMO CC([NH2+]Nc1cc(C)ccc1F)=C1CC1(F)F ZINC000841629881 587961891 /nfs/dbraw/zinc/96/18/91/587961891.db2.gz XXJNXNGXBJBMRW-VIFPVBQESA-N 1 1 242.244 3.577 20 30 BHEDMO CC([NH2+]Nc1c(C)cccc1F)=C1CC1(F)F ZINC000841634923 587963183 /nfs/dbraw/zinc/96/31/83/587963183.db2.gz YDAUDXXLTCXYTR-SECBINFHSA-N 1 1 242.244 3.577 20 30 BHEDMO CC([NH2+]Nc1c(C)cccc1F)=C1CC1(F)F ZINC000841634924 587963313 /nfs/dbraw/zinc/96/33/13/587963313.db2.gz YDAUDXXLTCXYTR-VIFPVBQESA-N 1 1 242.244 3.577 20 30 BHEDMO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841749994 587973887 /nfs/dbraw/zinc/97/38/87/587973887.db2.gz RYURQZRGYNRGKQ-NXEZZACHSA-N 1 1 239.746 3.661 20 30 BHEDMO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841749995 587973487 /nfs/dbraw/zinc/97/34/87/587973487.db2.gz RYURQZRGYNRGKQ-UWVGGRQHSA-N 1 1 239.746 3.661 20 30 BHEDMO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841749996 587973715 /nfs/dbraw/zinc/97/37/15/587973715.db2.gz RYURQZRGYNRGKQ-VHSXEESVSA-N 1 1 239.746 3.661 20 30 BHEDMO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841749997 587973901 /nfs/dbraw/zinc/97/39/01/587973901.db2.gz RYURQZRGYNRGKQ-ZJUUUORDSA-N 1 1 239.746 3.661 20 30 BHEDMO C=CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752917 587973620 /nfs/dbraw/zinc/97/36/20/587973620.db2.gz REPCSQRLBRHCLI-JTQLQIEISA-N 1 1 239.746 3.662 20 30 BHEDMO C=CCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752918 587973822 /nfs/dbraw/zinc/97/38/22/587973822.db2.gz REPCSQRLBRHCLI-SNVBAGLBSA-N 1 1 239.746 3.662 20 30 BHEDMO C=C(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753321 587974468 /nfs/dbraw/zinc/97/44/68/587974468.db2.gz GUBGIILLNANFEO-JTQLQIEISA-N 1 1 239.746 3.662 20 30 BHEDMO C=C(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753323 587974173 /nfs/dbraw/zinc/97/41/73/587974173.db2.gz GUBGIILLNANFEO-SNVBAGLBSA-N 1 1 239.746 3.662 20 30 BHEDMO C#CCCC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844360049 645320633 /nfs/dbraw/zinc/32/06/33/645320633.db2.gz MKQDDIYRVWCWNU-AWEZNQCLSA-N 1 1 247.407 3.512 20 30 BHEDMO C#CCCC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000844360050 588186885 /nfs/dbraw/zinc/18/68/85/588186885.db2.gz MKQDDIYRVWCWNU-CQSZACIVSA-N 1 1 247.407 3.512 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441747 588193583 /nfs/dbraw/zinc/19/35/83/588193583.db2.gz RWPVKAKCJBLVGM-CYBMUJFWSA-N 1 1 243.341 3.854 20 30 BHEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441748 588194035 /nfs/dbraw/zinc/19/40/35/588194035.db2.gz RWPVKAKCJBLVGM-ZDUSSCGKSA-N 1 1 243.341 3.854 20 30 BHEDMO CCCCCCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448450 588194531 /nfs/dbraw/zinc/19/45/31/588194531.db2.gz ALFFWVBPNMUTGC-TXEJJXNPSA-N 1 1 231.330 3.544 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470453 588196599 /nfs/dbraw/zinc/19/65/99/588196599.db2.gz IIMWNDXHOZRZJG-GFCCVEGCSA-N 1 1 231.330 3.688 20 30 BHEDMO CCCCCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470454 588196704 /nfs/dbraw/zinc/19/67/04/588196704.db2.gz IIMWNDXHOZRZJG-LBPRGKRZSA-N 1 1 231.330 3.688 20 30 BHEDMO CC[N@@H+](CCC#N)Cc1ccccc1C(C)C ZINC000848880400 588416072 /nfs/dbraw/zinc/41/60/72/588416072.db2.gz HFCOTJZRTKYOKN-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO CC[N@H+](CCC#N)Cc1ccccc1C(C)C ZINC000848880400 588416070 /nfs/dbraw/zinc/41/60/70/588416070.db2.gz HFCOTJZRTKYOKN-UHFFFAOYSA-N 1 1 230.355 3.546 20 30 BHEDMO CC[N@H+](Cc1ccccc1C(C)C)C[C@@H](C)C#N ZINC000848882391 588415965 /nfs/dbraw/zinc/41/59/65/588415965.db2.gz OIAQYLVMMVYFNL-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1ccccc1C(C)C)C[C@@H](C)C#N ZINC000848882391 588415964 /nfs/dbraw/zinc/41/59/64/588415964.db2.gz OIAQYLVMMVYFNL-AWEZNQCLSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@H+](Cc1ccccc1C(C)C)C[C@H](C)C#N ZINC000848882392 588415953 /nfs/dbraw/zinc/41/59/53/588415953.db2.gz OIAQYLVMMVYFNL-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[N@@H+](Cc1ccccc1C(C)C)C[C@H](C)C#N ZINC000848882392 588415952 /nfs/dbraw/zinc/41/59/52/588415952.db2.gz OIAQYLVMMVYFNL-CQSZACIVSA-N 1 1 244.382 3.792 20 30 BHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1C(C)C ZINC000848903352 588418289 /nfs/dbraw/zinc/41/82/89/588418289.db2.gz QJOSJXJFTATJLX-AWEZNQCLSA-N 1 1 230.355 3.592 20 30 BHEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1C(C)C ZINC000848903353 588418947 /nfs/dbraw/zinc/41/89/47/588418947.db2.gz QJOSJXJFTATJLX-CQSZACIVSA-N 1 1 230.355 3.592 20 30 BHEDMO CC(C)c1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000848914019 588420052 /nfs/dbraw/zinc/42/00/52/588420052.db2.gz GQWLZTNFEWHLDW-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO CC(C)c1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000848914019 588420051 /nfs/dbraw/zinc/42/00/51/588420051.db2.gz GQWLZTNFEWHLDW-UHFFFAOYSA-N 1 1 244.382 3.792 20 30 BHEDMO C=CC[N@H+](C[C@H](CC)CC(F)F)C(C)C ZINC000851731493 588619571 /nfs/dbraw/zinc/61/95/71/588619571.db2.gz RXRBDHHVTASKPI-LLVKDONJSA-N 1 1 219.319 3.564 20 30 BHEDMO C=CC[N@H+](C[C@@H](CC)CC(F)F)C(C)C ZINC000851731494 588619560 /nfs/dbraw/zinc/61/95/60/588619560.db2.gz RXRBDHHVTASKPI-NSHDSACASA-N 1 1 219.319 3.564 20 30 BHEDMO C=CC[N@@H+](Cc1nsc2ccccc21)C(C)C ZINC000851731657 588619280 /nfs/dbraw/zinc/61/92/80/588619280.db2.gz WXHKSONGPOPCIV-UHFFFAOYSA-N 1 1 246.379 3.693 20 30 BHEDMO C=CC[N@H+](Cc1nsc2ccccc21)C(C)C ZINC000851731657 588619279 /nfs/dbraw/zinc/61/92/79/588619279.db2.gz WXHKSONGPOPCIV-UHFFFAOYSA-N 1 1 246.379 3.693 20 30 BHEDMO C#CC[N@H+](C[C@H](CC)CC(F)F)C1CCCC1 ZINC000851809348 582968712 /nfs/dbraw/zinc/96/87/12/582968712.db2.gz UEHITZPUZOGHLB-GFCCVEGCSA-N 1 1 243.341 3.546 20 30 BHEDMO C#CC[N@H+](C[C@@H](CC)CC(F)F)C1CCCC1 ZINC000851809349 582968847 /nfs/dbraw/zinc/96/88/47/582968847.db2.gz UEHITZPUZOGHLB-LBPRGKRZSA-N 1 1 243.341 3.546 20 30 BHEDMO C#CCCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000852312069 588678182 /nfs/dbraw/zinc/67/81/82/588678182.db2.gz UEEZEZKGCIGXKL-UHFFFAOYSA-N 1 1 235.396 3.762 20 30 BHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC000852408788 588681132 /nfs/dbraw/zinc/68/11/32/588681132.db2.gz AUOCZZJADHLMTH-CYBMUJFWSA-N 1 1 248.370 3.586 20 30 BHEDMO C=CC[C@H]1CCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC000852408789 588681137 /nfs/dbraw/zinc/68/11/37/588681137.db2.gz AUOCZZJADHLMTH-ZDUSSCGKSA-N 1 1 248.370 3.586 20 30 BHEDMO C#CCCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427382 645478852 /nfs/dbraw/zinc/47/88/52/645478852.db2.gz XFHZKAJOEMSQFE-HNNXBMFYSA-N 1 1 243.350 3.610 20 30 BHEDMO C#CCCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427383 645480569 /nfs/dbraw/zinc/48/05/69/645480569.db2.gz XFHZKAJOEMSQFE-OAHLLOKOSA-N 1 1 243.350 3.610 20 30 BHEDMO CCCCCCCC[N@@H+](C)CC1=CCCOC1 ZINC000852518833 588687725 /nfs/dbraw/zinc/68/77/25/588687725.db2.gz PPNXJNHEZCSEOT-UHFFFAOYSA-N 1 1 239.403 3.625 20 30 BHEDMO C=CC[N@H+](CCc1cccs1)C(C)(C)C ZINC000852554176 588689041 /nfs/dbraw/zinc/68/90/41/588689041.db2.gz FKDREKYMXXYVLO-UHFFFAOYSA-N 1 1 223.385 3.577 20 30 BHEDMO C=CC[N@@H+](CC=C(Cl)Cl)C(C)(C)C ZINC000852554391 588689662 /nfs/dbraw/zinc/68/96/62/588689662.db2.gz LIDZSZIZAABQMN-UHFFFAOYSA-N 1 1 222.159 3.592 20 30 BHEDMO C=CC[N@H+](CC=C(Cl)Cl)C(C)(C)C ZINC000852554391 588689661 /nfs/dbraw/zinc/68/96/61/588689661.db2.gz LIDZSZIZAABQMN-UHFFFAOYSA-N 1 1 222.159 3.592 20 30 BHEDMO C=CC[N@@H+](Cc1cccnc1Cl)C(C)(C)C ZINC000852554483 588689699 /nfs/dbraw/zinc/68/96/99/588689699.db2.gz OLBWQKXPDRFVQM-UHFFFAOYSA-N 1 1 238.762 3.522 20 30 BHEDMO C=CC[N@H+](Cc1cccnc1Cl)C(C)(C)C ZINC000852554483 588689698 /nfs/dbraw/zinc/68/96/98/588689698.db2.gz OLBWQKXPDRFVQM-UHFFFAOYSA-N 1 1 238.762 3.522 20 30 BHEDMO C=CC[N@H+](Cc1ncc(C(C)C)o1)C(C)(C)C ZINC000852554797 588689761 /nfs/dbraw/zinc/68/97/61/588689761.db2.gz WOACJZZIVHVMLK-UHFFFAOYSA-N 1 1 236.359 3.585 20 30 BHEDMO C=CC[N@@H+](Cc1ncc(C(C)C)o1)C(C)(C)C ZINC000852554797 588689760 /nfs/dbraw/zinc/68/97/60/588689760.db2.gz WOACJZZIVHVMLK-UHFFFAOYSA-N 1 1 236.359 3.585 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC2)C(C)(C)C ZINC000852554906 583014464 /nfs/dbraw/zinc/01/44/64/583014464.db2.gz YKMVIIMSYXMDOF-UHFFFAOYSA-N 1 1 245.366 3.503 20 30 BHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC(OC(C)(C)C)C1 ZINC000852687655 588696303 /nfs/dbraw/zinc/69/63/03/588696303.db2.gz MNHOREGRUGIVEV-DGKWVBSXSA-N 1 1 249.398 3.516 20 30 BHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CF)cc1 ZINC000852688688 588696423 /nfs/dbraw/zinc/69/64/23/588696423.db2.gz XRJLNSUMXHVEER-IYBDPMFKSA-N 1 1 245.341 3.839 20 30 BHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSC(C)(C)C ZINC000852688749 588696387 /nfs/dbraw/zinc/69/63/87/588696387.db2.gz ZUUAWBNAAJNQOR-BETUJISGSA-N 1 1 239.428 3.701 20 30 BHEDMO CCCCCCC[N@@H+](C)CC1=CCSC1 ZINC000852747639 588699379 /nfs/dbraw/zinc/69/93/79/588699379.db2.gz QZXQMXDBFWKWBS-UHFFFAOYSA-N 1 1 227.417 3.562 20 30 BHEDMO C=CCCCCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857866956 588915438 /nfs/dbraw/zinc/91/54/38/588915438.db2.gz VXDUIJJIKDIXLE-AWEZNQCLSA-N 1 1 247.386 3.513 20 30 BHEDMO C=CCCCCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857866957 588915691 /nfs/dbraw/zinc/91/56/91/588915691.db2.gz VXDUIJJIKDIXLE-CQSZACIVSA-N 1 1 247.386 3.513 20 30 BHEDMO CCCCCCCC[N@H+]1Cc2ccncc2C1 ZINC000857876813 588918969 /nfs/dbraw/zinc/91/89/69/588918969.db2.gz VJAFRHXOJYZUDI-UHFFFAOYSA-N 1 1 232.371 3.758 20 30 BHEDMO CCCCCCCC[N@@H+]1Cc2ccncc2C1 ZINC000857876813 588918968 /nfs/dbraw/zinc/91/89/68/588918968.db2.gz VJAFRHXOJYZUDI-UHFFFAOYSA-N 1 1 232.371 3.758 20 30 BHEDMO CCCCCCC[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000857877743 588919088 /nfs/dbraw/zinc/91/90/88/588919088.db2.gz HKKIBZUOCONOIL-CYBMUJFWSA-N 1 1 249.402 3.517 20 30 BHEDMO CCCCCCC[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000857877744 588918952 /nfs/dbraw/zinc/91/89/52/588918952.db2.gz HKKIBZUOCONOIL-ZDUSSCGKSA-N 1 1 249.402 3.517 20 30 BHEDMO CCCCCCCCC[N@H+]1CCc2nc[nH]c2C1 ZINC000859305201 589029189 /nfs/dbraw/zinc/02/91/89/589029189.db2.gz CWEBBXVOMLFNAM-UHFFFAOYSA-N 1 1 249.402 3.518 20 30 BHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000859446324 589037445 /nfs/dbraw/zinc/03/74/45/589037445.db2.gz XLMQZXBQYMRNSD-AWEZNQCLSA-N 1 1 233.330 3.554 20 30 BHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000859446325 589037911 /nfs/dbraw/zinc/03/79/11/589037911.db2.gz XLMQZXBQYMRNSD-CQSZACIVSA-N 1 1 233.330 3.554 20 30 BHEDMO CCCCCCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859478641 589039784 /nfs/dbraw/zinc/03/97/84/589039784.db2.gz HAJAGVCFADEGLX-UHFFFAOYSA-N 1 1 233.355 3.678 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000862224367 589195603 /nfs/dbraw/zinc/19/56/03/589195603.db2.gz PWGIUCUFUZUZFD-UHFFFAOYSA-N 1 1 228.339 3.564 20 30 BHEDMO C=CC[N@@H+](Cc1ccc2[nH]ccc2c1)C(C)C ZINC000862224749 589195500 /nfs/dbraw/zinc/19/55/00/589195500.db2.gz TUIGUHRDGFZTTM-UHFFFAOYSA-N 1 1 228.339 3.564 20 30 BHEDMO C=C(Cl)C[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000866298870 589484611 /nfs/dbraw/zinc/48/46/11/589484611.db2.gz FWTYJTBAQJJCND-GFCCVEGCSA-N 1 1 238.762 3.573 20 30 BHEDMO C=C(Cl)C[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000866298871 589484627 /nfs/dbraw/zinc/48/46/27/589484627.db2.gz FWTYJTBAQJJCND-LBPRGKRZSA-N 1 1 238.762 3.573 20 30 BHEDMO C#CCCCCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876513324 590206076 /nfs/dbraw/zinc/20/60/76/590206076.db2.gz KMQVALCSKCBCKY-INIZCTEOSA-N 1 1 244.382 3.735 20 30 BHEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876513325 590205910 /nfs/dbraw/zinc/20/59/10/590205910.db2.gz KMQVALCSKCBCKY-MRXNPFEDSA-N 1 1 244.382 3.735 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000876544222 590212491 /nfs/dbraw/zinc/21/24/91/590212491.db2.gz RABCPMUORLFDLO-KBPBESRZSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000876544223 590212573 /nfs/dbraw/zinc/21/25/73/590212573.db2.gz RABCPMUORLFDLO-KGLIPLIRSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000876544224 590212889 /nfs/dbraw/zinc/21/28/89/590212889.db2.gz RABCPMUORLFDLO-UONOGXRCSA-N 1 1 242.366 3.546 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000876544225 590212496 /nfs/dbraw/zinc/21/24/96/590212496.db2.gz RABCPMUORLFDLO-ZIAGYGMSSA-N 1 1 242.366 3.546 20 30 BHEDMO C=CC[N@@H+](Cc1cccc2ncccc12)C(C)C ZINC000876600472 590220959 /nfs/dbraw/zinc/22/09/59/590220959.db2.gz RMPJNMGEDHPGHF-UHFFFAOYSA-N 1 1 240.350 3.631 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000877169304 590296018 /nfs/dbraw/zinc/29/60/18/590296018.db2.gz BLWTWJBALQFEND-HNNXBMFYSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000877169305 590295927 /nfs/dbraw/zinc/29/59/27/590295927.db2.gz BLWTWJBALQFEND-OAHLLOKOSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000877316946 590314344 /nfs/dbraw/zinc/31/43/44/590314344.db2.gz DNCARFNLIQTEFA-HNNXBMFYSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000877317046 590314107 /nfs/dbraw/zinc/31/41/07/590314107.db2.gz DNCARFNLIQTEFA-OAHLLOKOSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000877317419 590314355 /nfs/dbraw/zinc/31/43/55/590314355.db2.gz NBXBKGCVVLRMKS-HNNXBMFYSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000877317420 590314374 /nfs/dbraw/zinc/31/43/74/590314374.db2.gz NBXBKGCVVLRMKS-OAHLLOKOSA-N 1 1 244.382 3.658 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC2(CCCC2)C1 ZINC000877462171 590332922 /nfs/dbraw/zinc/33/29/22/590332922.db2.gz LKNQHIJDCPQGFR-AWEZNQCLSA-N 1 1 234.387 3.582 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1CCCC2(CCCC2)C1 ZINC000877462173 590332249 /nfs/dbraw/zinc/33/22/49/590332249.db2.gz LKNQHIJDCPQGFR-CQSZACIVSA-N 1 1 234.387 3.582 20 30 BHEDMO C[C@H](CCC#N)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000877530354 590348965 /nfs/dbraw/zinc/34/89/65/590348965.db2.gz SUUDZUMTXAWLBB-LLVKDONJSA-N 1 1 248.757 3.595 20 30 BHEDMO C[C@H](CCC#N)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000877530354 590348962 /nfs/dbraw/zinc/34/89/62/590348962.db2.gz SUUDZUMTXAWLBB-LLVKDONJSA-N 1 1 248.757 3.595 20 30 BHEDMO C[C@@H](CCC#N)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000877530355 590349536 /nfs/dbraw/zinc/34/95/36/590349536.db2.gz SUUDZUMTXAWLBB-NSHDSACASA-N 1 1 248.757 3.595 20 30 BHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000877530355 590349534 /nfs/dbraw/zinc/34/95/34/590349534.db2.gz SUUDZUMTXAWLBB-NSHDSACASA-N 1 1 248.757 3.595 20 30 BHEDMO C#CCCCCCC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000877539371 590350539 /nfs/dbraw/zinc/35/05/39/590350539.db2.gz LBDGWNWVNWQRPN-CYBMUJFWSA-N 1 1 243.341 3.547 20 30 BHEDMO C#CCCCCCC[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000877539372 590351099 /nfs/dbraw/zinc/35/10/99/590351099.db2.gz LBDGWNWVNWQRPN-ZDUSSCGKSA-N 1 1 243.341 3.547 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000877902719 590443895 /nfs/dbraw/zinc/44/38/95/590443895.db2.gz FRTVJYLXBJRUTM-NEPJUHHUSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000877902720 590443454 /nfs/dbraw/zinc/44/34/54/590443454.db2.gz FRTVJYLXBJRUTM-NWDGAFQWSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000877902721 590443047 /nfs/dbraw/zinc/44/30/47/590443047.db2.gz FRTVJYLXBJRUTM-RYUDHWBXSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000877902722 590443378 /nfs/dbraw/zinc/44/33/78/590443378.db2.gz FRTVJYLXBJRUTM-VXGBXAGGSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000877961941 583355167 /nfs/dbraw/zinc/35/51/67/583355167.db2.gz ZTLLZUOETRHBLE-AAEUAGOBSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961942 583355541 /nfs/dbraw/zinc/35/55/41/583355541.db2.gz ZTLLZUOETRHBLE-DGCLKSJQSA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961943 583355041 /nfs/dbraw/zinc/35/50/41/583355041.db2.gz ZTLLZUOETRHBLE-WCQYABFASA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000877961944 583355826 /nfs/dbraw/zinc/35/58/26/583355826.db2.gz ZTLLZUOETRHBLE-YPMHNXCESA-N 1 1 221.369 3.850 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166019 590512895 /nfs/dbraw/zinc/51/28/95/590512895.db2.gz JPSDWVADPBEPBF-BXUZGUMPSA-N 1 1 219.303 3.537 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166020 590513151 /nfs/dbraw/zinc/51/31/51/590513151.db2.gz JPSDWVADPBEPBF-FZMZJTMJSA-N 1 1 219.303 3.537 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166021 590512728 /nfs/dbraw/zinc/51/27/28/590512728.db2.gz JPSDWVADPBEPBF-RISCZKNCSA-N 1 1 219.303 3.537 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166022 590513205 /nfs/dbraw/zinc/51/32/05/590513205.db2.gz JPSDWVADPBEPBF-SMDDNHRTSA-N 1 1 219.303 3.537 20 30 BHEDMO C#CCCCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242258 590528480 /nfs/dbraw/zinc/52/84/80/590528480.db2.gz IUJBDNSIVWMROP-AWEZNQCLSA-N 1 1 245.366 3.579 20 30 BHEDMO C#CCCCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242259 590528134 /nfs/dbraw/zinc/52/81/34/590528134.db2.gz IUJBDNSIVWMROP-CQSZACIVSA-N 1 1 245.366 3.579 20 30 BHEDMO C#CCCCCC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000878315806 590541770 /nfs/dbraw/zinc/54/17/70/590541770.db2.gz CCZFQEGMUOFRKU-INIZCTEOSA-N 1 1 244.382 3.658 20 30 BHEDMO C#CCCCCC[N@H+](C)[C@H](CC)c1ccncc1 ZINC000878315807 590541867 /nfs/dbraw/zinc/54/18/67/590541867.db2.gz CCZFQEGMUOFRKU-MRXNPFEDSA-N 1 1 244.382 3.658 20 30 BHEDMO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000878440063 590568892 /nfs/dbraw/zinc/56/88/92/590568892.db2.gz BMKZLZWTBUEPJR-GXTWGEPZSA-N 1 1 249.354 3.528 20 30 BHEDMO C=CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000878440064 590568919 /nfs/dbraw/zinc/56/89/19/590568919.db2.gz BMKZLZWTBUEPJR-JSGCOSHPSA-N 1 1 249.354 3.528 20 30 BHEDMO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000878440065 590568579 /nfs/dbraw/zinc/56/85/79/590568579.db2.gz BMKZLZWTBUEPJR-OCCSQVGLSA-N 1 1 249.354 3.528 20 30 BHEDMO C=CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000878440066 590568191 /nfs/dbraw/zinc/56/81/91/590568191.db2.gz BMKZLZWTBUEPJR-TZMCWYRMSA-N 1 1 249.354 3.528 20 30 BHEDMO C=CC[C@@H]1[N@@H+](Cc2nocc2C)CCCC1(C)C ZINC000878516841 590585415 /nfs/dbraw/zinc/58/54/15/590585415.db2.gz WOHAEDJIQIFVBA-AWEZNQCLSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@H]1[N@@H+](Cc2nocc2C)CCCC1(C)C ZINC000878516842 590585128 /nfs/dbraw/zinc/58/51/28/590585128.db2.gz WOHAEDJIQIFVBA-CQSZACIVSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000878721689 590616270 /nfs/dbraw/zinc/61/62/70/590616270.db2.gz ZHDIUIPRLSTHCO-GHMZBOCLSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000878721695 590615999 /nfs/dbraw/zinc/61/59/99/590615999.db2.gz ZHDIUIPRLSTHCO-MNOVXSKESA-N 1 1 235.293 3.615 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000878721697 590616200 /nfs/dbraw/zinc/61/62/00/590616200.db2.gz ZHDIUIPRLSTHCO-QWRGUYRKSA-N 1 1 235.293 3.615 20 30 BHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000878721698 590615861 /nfs/dbraw/zinc/61/58/61/590615861.db2.gz ZHDIUIPRLSTHCO-WDEREUQCSA-N 1 1 235.293 3.615 20 30 BHEDMO C=C/C=C\CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878728222 590617632 /nfs/dbraw/zinc/61/76/32/590617632.db2.gz KXWHOPSALHIEKK-GEXIGZQTSA-N 1 1 240.350 3.683 20 30 BHEDMO C=C/C=C/CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878728224 590617696 /nfs/dbraw/zinc/61/76/96/590617696.db2.gz KXWHOPSALHIEKK-GJBLVYBDSA-N 1 1 240.350 3.683 20 30 BHEDMO C=C/C=C\CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878728225 590617491 /nfs/dbraw/zinc/61/74/91/590617491.db2.gz KXWHOPSALHIEKK-GXMNPTEKSA-N 1 1 240.350 3.683 20 30 BHEDMO C=C/C=C/CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878728226 590617722 /nfs/dbraw/zinc/61/77/22/590617722.db2.gz KXWHOPSALHIEKK-VBROQKIQSA-N 1 1 240.350 3.683 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000878975174 590664815 /nfs/dbraw/zinc/66/48/15/590664815.db2.gz AMKHHHTUGAOMDD-AWEZNQCLSA-N 1 1 247.386 3.584 20 30 BHEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000878975175 590664682 /nfs/dbraw/zinc/66/46/82/590664682.db2.gz AMKHHHTUGAOMDD-CQSZACIVSA-N 1 1 247.386 3.584 20 30 BHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530219 590793372 /nfs/dbraw/zinc/79/33/72/590793372.db2.gz PLILHXCKINEHAM-GASCZTMLSA-N 1 1 246.398 3.604 20 30 BHEDMO C=C(C)CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724135 590857144 /nfs/dbraw/zinc/85/71/44/590857144.db2.gz BXSIQBOQVPNBSQ-UHFFFAOYSA-N 1 1 228.339 3.566 20 30 BHEDMO C=CC[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879727525 590856485 /nfs/dbraw/zinc/85/64/85/590856485.db2.gz DRZNKDRLDJZMNU-GFCCVEGCSA-N 1 1 228.339 3.564 20 30 BHEDMO C=CC[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879727526 590857235 /nfs/dbraw/zinc/85/72/35/590857235.db2.gz DRZNKDRLDJZMNU-LBPRGKRZSA-N 1 1 228.339 3.564 20 30 BHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CCCCC#N ZINC000880371808 591014416 /nfs/dbraw/zinc/01/44/16/591014416.db2.gz NYKUWURVCJXPJY-INIZCTEOSA-N 1 1 242.366 3.691 20 30 BHEDMO C[C@]1(c2ccccc2)CCC[N@H+]1CCCCC#N ZINC000880371809 591014592 /nfs/dbraw/zinc/01/45/92/591014592.db2.gz NYKUWURVCJXPJY-MRXNPFEDSA-N 1 1 242.366 3.691 20 30 BHEDMO C=CCCC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000880388179 591017547 /nfs/dbraw/zinc/01/75/47/591017547.db2.gz JEWMJGPBCSUXHW-HNNXBMFYSA-N 1 1 228.339 3.587 20 30 BHEDMO C=CCCC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000880388180 591017536 /nfs/dbraw/zinc/01/75/36/591017536.db2.gz JEWMJGPBCSUXHW-OAHLLOKOSA-N 1 1 228.339 3.587 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@H]1c1ccccc1 ZINC000886545516 592255056 /nfs/dbraw/zinc/25/50/56/592255056.db2.gz NCHDVXYAQHEIJF-GDBMZVCRSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1CC[N@@H+](CCCCC#N)[C@H]1c1ccccc1 ZINC000886545517 592255237 /nfs/dbraw/zinc/25/52/37/592255237.db2.gz NCHDVXYAQHEIJF-GOEBONIOSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@H]1CC[N@@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000886545518 592255402 /nfs/dbraw/zinc/25/54/02/592255402.db2.gz NCHDVXYAQHEIJF-HOCLYGCPSA-N 1 1 242.366 3.763 20 30 BHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000886545519 592254715 /nfs/dbraw/zinc/25/47/15/592254715.db2.gz NCHDVXYAQHEIJF-ZBFHGGJFSA-N 1 1 242.366 3.763 20 30 BHEDMO C=CC[C@@H](CC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886605190 592274311 /nfs/dbraw/zinc/27/43/11/592274311.db2.gz LMPGSBMFEQKUML-GHMZBOCLSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@H](CC)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886605191 592273964 /nfs/dbraw/zinc/27/39/64/592273964.db2.gz LMPGSBMFEQKUML-MNOVXSKESA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@H](CC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886605192 592274586 /nfs/dbraw/zinc/27/45/86/592274586.db2.gz LMPGSBMFEQKUML-QWRGUYRKSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CC[C@@H](CC)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886605193 592273843 /nfs/dbraw/zinc/27/38/43/592273843.db2.gz LMPGSBMFEQKUML-WDEREUQCSA-N 1 1 237.318 3.537 20 30 BHEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613704 592275283 /nfs/dbraw/zinc/27/52/83/592275283.db2.gz CAVUPHYQDAEPND-RYUDHWBXSA-N 1 1 247.304 3.617 20 30 BHEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617748 592277309 /nfs/dbraw/zinc/27/73/09/592277309.db2.gz XMCYSVLJZIJPHT-RYUDHWBXSA-N 1 1 247.304 3.617 20 30 BHEDMO C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886620903 592276957 /nfs/dbraw/zinc/27/69/57/592276957.db2.gz WCSTUBJQCXSLDU-SRVKXCTJSA-N 1 1 247.304 3.615 20 30 BHEDMO C=CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886620904 592276977 /nfs/dbraw/zinc/27/69/77/592276977.db2.gz WCSTUBJQCXSLDU-WOPDTQHZSA-N 1 1 247.304 3.615 20 30 BHEDMO N#Cc1cc(C[N@@H+](C2CC2)C2CCCC2)cs1 ZINC000891600136 582700805 /nfs/dbraw/zinc/70/08/05/582700805.db2.gz RSHDHHKYQZLALA-UHFFFAOYSA-N 1 1 246.379 3.527 20 30 BHEDMO C=C(Cl)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893350640 583118947 /nfs/dbraw/zinc/11/89/47/583118947.db2.gz JSBGTKMUPSPXBF-UHFFFAOYSA-N 1 1 249.663 3.605 20 30 BHEDMO Cc1oc(C(C)(C)C)cc1C[NH2+]CC(C)(C)C#N ZINC000893550579 583163049 /nfs/dbraw/zinc/16/30/49/583163049.db2.gz FNKVQYVEPMOXCZ-UHFFFAOYSA-N 1 1 248.370 3.525 20 30 BHEDMO C=CCC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000893930198 583250601 /nfs/dbraw/zinc/25/06/01/583250601.db2.gz UJYVDXIDGAWHKV-UHFFFAOYSA-N 1 1 243.272 3.771 20 30 BHEDMO C=CC[N@H+](Cc1ocnc1C)CC1CCCCC1 ZINC000894021256 583274889 /nfs/dbraw/zinc/27/48/89/583274889.db2.gz QKJYMYUBHCTGQE-UHFFFAOYSA-N 1 1 248.370 3.551 20 30 BHEDMO C=CC[C@@H]1[N@@H+](Cc2ocnc2C)CCCC1(C)C ZINC000894574033 583486581 /nfs/dbraw/zinc/48/65/81/583486581.db2.gz LHZADOZYRWNZQN-AWEZNQCLSA-N 1 1 248.370 3.550 20 30 BHEDMO C=CC[C@H]1[N@@H+](Cc2ocnc2C)CCCC1(C)C ZINC000894574034 583486778 /nfs/dbraw/zinc/48/67/78/583486778.db2.gz LHZADOZYRWNZQN-CQSZACIVSA-N 1 1 248.370 3.550 20 30 BHEDMO Cc1cccc(C)c1C[N@H+](C)C[C@H](C)CCC#N ZINC000897624421 584032473 /nfs/dbraw/zinc/03/24/73/584032473.db2.gz JNKZEBHSCOSUJK-CYBMUJFWSA-N 1 1 244.382 3.675 20 30 BHEDMO Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)CCC#N ZINC000897624427 584032412 /nfs/dbraw/zinc/03/24/12/584032412.db2.gz JNKZEBHSCOSUJK-ZDUSSCGKSA-N 1 1 244.382 3.675 20 30 BHEDMO CC(C)(CCC#N)CNc1ccc(C2CC2)c[nH+]1 ZINC000897712777 584042838 /nfs/dbraw/zinc/04/28/38/584042838.db2.gz UDZGDYNAXYTGIK-UHFFFAOYSA-N 1 1 243.354 3.701 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1nc(Cl)cs1 ZINC000898244362 584099819 /nfs/dbraw/zinc/09/98/19/584099819.db2.gz HWHIQWOYCKHNGQ-UHFFFAOYSA-N 1 1 244.791 3.585 20 30 BHEDMO C=CCCC[N@@H+](CC)Cc1nc(Cl)cs1 ZINC000898244362 584099817 /nfs/dbraw/zinc/09/98/17/584099817.db2.gz HWHIQWOYCKHNGQ-UHFFFAOYSA-N 1 1 244.791 3.585 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1cc2cccnc2o1 ZINC000898244468 584099993 /nfs/dbraw/zinc/09/99/93/584099993.db2.gz LIAKURQHZOSRSK-UHFFFAOYSA-N 1 1 244.338 3.616 20 30 BHEDMO C=CCCC[N@H+](CC)Cc1cc2cnccc2o1 ZINC000898245256 584100807 /nfs/dbraw/zinc/10/08/07/584100807.db2.gz ZCSICRNPJCVDLS-UHFFFAOYSA-N 1 1 244.338 3.616 20 30 BHEDMO C=CCCC[N@H+](CC)CC(C)(C)CCC#N ZINC000898245385 584100864 /nfs/dbraw/zinc/10/08/64/584100864.db2.gz BPBMWFZXXKDZHT-UHFFFAOYSA-N 1 1 222.376 3.604 20 30 BHEDMO C=C(C)c1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000898309302 584110483 /nfs/dbraw/zinc/11/04/83/584110483.db2.gz BBFNWKJZYSDMQB-BBRMVZONSA-N 1 1 244.382 3.614 20 30 BHEDMO C=C(C)c1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000898309303 584110253 /nfs/dbraw/zinc/11/02/53/584110253.db2.gz BBFNWKJZYSDMQB-CJNGLKHVSA-N 1 1 244.382 3.614 20 30 BHEDMO C=C(C)c1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000898309304 584110429 /nfs/dbraw/zinc/11/04/29/584110429.db2.gz BBFNWKJZYSDMQB-CZUORRHYSA-N 1 1 244.382 3.614 20 30 BHEDMO C=C(C)c1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000898309305 584110372 /nfs/dbraw/zinc/11/03/72/584110372.db2.gz BBFNWKJZYSDMQB-XJKSGUPXSA-N 1 1 244.382 3.614 20 30 BHEDMO CCCc1[nH+]ccn1CCCCC1(C#N)CCC1 ZINC000901517907 584462040 /nfs/dbraw/zinc/46/20/40/584462040.db2.gz NTCYIEWCIWXCFR-UHFFFAOYSA-N 1 1 245.370 3.700 20 30 BHEDMO CC(C)c1[nH+]ccn1CCCCC1(C#N)CCC1 ZINC000901530910 584459375 /nfs/dbraw/zinc/45/93/75/584459375.db2.gz WCUMDLLGNQSWCJ-UHFFFAOYSA-N 1 1 245.370 3.871 20 30 BHEDMO CCc1[nH+]c(C)cn1CCCCC1(C#N)CCC1 ZINC000901589399 637265591 /nfs/dbraw/zinc/26/55/91/637265591.db2.gz ITQNIDFBLXSTPU-UHFFFAOYSA-N 1 1 245.370 3.618 20 30 BHEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000903032849 584718710 /nfs/dbraw/zinc/71/87/10/584718710.db2.gz LNQKXMMGJJRMQZ-AWEZNQCLSA-N 1 1 246.329 3.560 20 30 BHEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1 ZINC000903032850 584718530 /nfs/dbraw/zinc/71/85/30/584718530.db2.gz LNQKXMMGJJRMQZ-CQSZACIVSA-N 1 1 246.329 3.560 20 30 BHEDMO C=CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccco1 ZINC000903033278 584718515 /nfs/dbraw/zinc/71/85/15/584718515.db2.gz RXVKUKQPWSEXSU-CYBMUJFWSA-N 1 1 244.338 3.570 20 30 BHEDMO C=CCC[C@H]([NH2+]CC1(C#N)CCC1)c1ccco1 ZINC000903033279 584718697 /nfs/dbraw/zinc/71/86/97/584718697.db2.gz RXVKUKQPWSEXSU-ZDUSSCGKSA-N 1 1 244.338 3.570 20 30 BHEDMO Cc1ccc([C@@H]([NH2+]CC(C)(C)C#N)C2CCC2)o1 ZINC000903100512 584727393 /nfs/dbraw/zinc/72/73/93/584727393.db2.gz QTMDVAWTCLIRGK-AWEZNQCLSA-N 1 1 246.354 3.569 20 30 BHEDMO Cc1ccc([C@H]([NH2+]CC(C)(C)C#N)C2CCC2)o1 ZINC000903100513 584727450 /nfs/dbraw/zinc/72/74/50/584727450.db2.gz QTMDVAWTCLIRGK-CQSZACIVSA-N 1 1 246.354 3.569 20 30 BHEDMO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)cc(C)c1F ZINC000903100753 584727206 /nfs/dbraw/zinc/72/72/06/584727206.db2.gz WYIBTKTWJQNAEO-GFCCVEGCSA-N 1 1 248.345 3.643 20 30 BHEDMO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)cc(C)c1F ZINC000903100754 584727333 /nfs/dbraw/zinc/72/73/33/584727333.db2.gz WYIBTKTWJQNAEO-LBPRGKRZSA-N 1 1 248.345 3.643 20 30 BHEDMO CC(C)CC[C@H]([NH2+]CC(C)(C)C#N)c1ccoc1 ZINC000903101721 584727327 /nfs/dbraw/zinc/72/73/27/584727327.db2.gz LFMYNLQQBAMEEW-AWEZNQCLSA-N 1 1 248.370 3.896 20 30 BHEDMO CC(C)CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccoc1 ZINC000903101722 584727210 /nfs/dbraw/zinc/72/72/10/584727210.db2.gz LFMYNLQQBAMEEW-CQSZACIVSA-N 1 1 248.370 3.896 20 30 BHEDMO CC(C)CC[C@H]([NH2+]CC1(C#N)CC1)c1ccoc1 ZINC000903107052 710892698 /nfs/dbraw/zinc/89/26/98/710892698.db2.gz ZPKAEQODNUBCJO-AWEZNQCLSA-N 1 1 246.354 3.650 20 30 BHEDMO CC(C)CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccoc1 ZINC000903107053 710892729 /nfs/dbraw/zinc/89/27/29/710892729.db2.gz ZPKAEQODNUBCJO-CQSZACIVSA-N 1 1 246.354 3.650 20 30 BHEDMO CC(C)c1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903108569 710893007 /nfs/dbraw/zinc/89/30/07/710893007.db2.gz DJOFLQFJWBOXBW-CYBMUJFWSA-N 1 1 242.366 3.764 20 30 BHEDMO CC(C)c1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903108570 710892643 /nfs/dbraw/zinc/89/26/43/710892643.db2.gz DJOFLQFJWBOXBW-ZDUSSCGKSA-N 1 1 242.366 3.764 20 30 BHEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cs1 ZINC000903109634 710892689 /nfs/dbraw/zinc/89/26/89/710892689.db2.gz UCCBJFUYMWUSBN-GFCCVEGCSA-N 1 1 248.395 3.791 20 30 BHEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)cs1 ZINC000903109635 710892123 /nfs/dbraw/zinc/89/21/23/710892123.db2.gz UCCBJFUYMWUSBN-LBPRGKRZSA-N 1 1 248.395 3.791 20 30 BHEDMO C[C@H](CC(C)(C)C#N)Nc1cccc(C2CC2)[nH+]1 ZINC000903267339 584741568 /nfs/dbraw/zinc/74/15/68/584741568.db2.gz IUVKACHKOLRLNW-LLVKDONJSA-N 1 1 243.354 3.699 20 30 BHEDMO C[C@@H](CC(C)(C)C#N)Nc1cccc(C2CC2)[nH+]1 ZINC000903267340 584741927 /nfs/dbraw/zinc/74/19/27/584741927.db2.gz IUVKACHKOLRLNW-NSHDSACASA-N 1 1 243.354 3.699 20 30 BHEDMO C=C(Cl)C[N@H+](CC)Cc1ccccc1C ZINC000915058431 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