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+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862889 527573364 /nfs/dbraw/zinc/57/33/64/527573364.db2.gz KVBXTZXGNSLSJJ-SFHVURJKSA-N 1 3 288.435 2.550 10 30 CFEEHO C=CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862889 527573369 /nfs/dbraw/zinc/57/33/69/527573369.db2.gz KVBXTZXGNSLSJJ-SFHVURJKSA-N 1 3 288.435 2.550 10 30 CFEEHO C[C@@H](c1ccc(C#N)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749002 174393977 /nfs/dbraw/zinc/39/39/77/174393977.db2.gz KNOGLYHKMHSLQU-RJPYNODJSA-N 1 3 255.365 2.573 10 30 CFEEHO CC[C@H](C)C[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688900 175095531 /nfs/dbraw/zinc/09/55/31/175095531.db2.gz PMIQUXYUNNIRTH-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@H](C)C[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688900 175095532 /nfs/dbraw/zinc/09/55/32/175095532.db2.gz PMIQUXYUNNIRTH-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[N@H+](Cc1cc(C#CCN)cs1)C(C)C ZINC000043689106 175095609 /nfs/dbraw/zinc/09/56/09/175095609.db2.gz FNKDHEFZYWIWOD-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[N@@H+](Cc1cc(C#CCN)cs1)C(C)C ZINC000043689106 175095610 /nfs/dbraw/zinc/09/56/10/175095610.db2.gz FNKDHEFZYWIWOD-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)CC[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684018 175091910 /nfs/dbraw/zinc/09/19/10/175091910.db2.gz WQYMOCNHHXGODC-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)CC[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684018 175091911 /nfs/dbraw/zinc/09/19/11/175091911.db2.gz WQYMOCNHHXGODC-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683743 175092468 /nfs/dbraw/zinc/09/24/68/175092468.db2.gz WVPIMPMEVGOTJC-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683743 175092470 /nfs/dbraw/zinc/09/24/70/175092470.db2.gz WVPIMPMEVGOTJC-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO C[C@@H]([N@H+](C)Cc1ccc(C#CCN)s1)C(C)(C)C ZINC000043684250 175092600 /nfs/dbraw/zinc/09/26/00/175092600.db2.gz HIXUGLINRQZQFR-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]([N@@H+](C)Cc1ccc(C#CCN)s1)C(C)(C)C ZINC000043684250 175092601 /nfs/dbraw/zinc/09/26/01/175092601.db2.gz HIXUGLINRQZQFR-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684183 175093117 /nfs/dbraw/zinc/09/31/17/175093117.db2.gz IIXJWWXUULKEKK-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684183 175093118 /nfs/dbraw/zinc/09/31/18/175093118.db2.gz IIXJWWXUULKEKK-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO CC[N@H+](Cc1cc(C#CCN)cs1)C1CCCC1 ZINC000043688915 175095377 /nfs/dbraw/zinc/09/53/77/175095377.db2.gz CVIFFVZLXNSUOW-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[N@@H+](Cc1cc(C#CCN)cs1)C1CCCC1 ZINC000043688915 175095379 /nfs/dbraw/zinc/09/53/79/175095379.db2.gz CVIFFVZLXNSUOW-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688926 175095943 /nfs/dbraw/zinc/09/59/43/175095943.db2.gz GUKMLBNQCUUUQJ-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688926 175095945 /nfs/dbraw/zinc/09/59/45/175095945.db2.gz GUKMLBNQCUUUQJ-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO C[N@H+](Cc1cc(C#CCN)cs1)CC(C)(C)C ZINC000045086711 175304084 /nfs/dbraw/zinc/30/40/84/175304084.db2.gz FHZHVCRFDZVAIY-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO C[N@@H+](Cc1cc(C#CCN)cs1)CC(C)(C)C ZINC000045086711 175304086 /nfs/dbraw/zinc/30/40/86/175304086.db2.gz FHZHVCRFDZVAIY-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO C[N@H+](Cc1ccc(F)cc1C#CCN)CC(C)(C)C ZINC000045086744 175304388 /nfs/dbraw/zinc/30/43/88/175304388.db2.gz HVMILYFTTKFHJO-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO C[N@@H+](Cc1ccc(F)cc1C#CCN)CC(C)(C)C ZINC000045086744 175304389 /nfs/dbraw/zinc/30/43/89/175304389.db2.gz HVMILYFTTKFHJO-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)[C@H]1C ZINC000252203914 574283640 /nfs/dbraw/zinc/28/36/40/574283640.db2.gz URIPLTDCDDVJBH-OLZOCXBDSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)[C@H]1C ZINC000252203914 574283642 /nfs/dbraw/zinc/28/36/42/574283642.db2.gz URIPLTDCDDVJBH-OLZOCXBDSA-N 1 3 262.422 2.679 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688931 175095309 /nfs/dbraw/zinc/09/53/09/175095309.db2.gz NFYLIPKUKOWAKA-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688931 175095311 /nfs/dbraw/zinc/09/53/11/175095311.db2.gz NFYLIPKUKOWAKA-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CCCCC[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688902 175096090 /nfs/dbraw/zinc/09/60/90/175096090.db2.gz QDDKQLSVWGDLLQ-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CCCCC[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688902 175096091 /nfs/dbraw/zinc/09/60/91/175096091.db2.gz QDDKQLSVWGDLLQ-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2sccc2C#CCN)C1 ZINC000043683724 175091851 /nfs/dbraw/zinc/09/18/51/175091851.db2.gz ZUHTZDCBXXLPOQ-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2sccc2C#CCN)C1 ZINC000043683724 175091852 /nfs/dbraw/zinc/09/18/52/175091852.db2.gz ZUHTZDCBXXLPOQ-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO CCCC[N@H+](Cc1sccc1C#CCN)C1CC1 ZINC000043683848 175092117 /nfs/dbraw/zinc/09/21/17/175092117.db2.gz QYXILPZPOAVROO-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCCC[N@@H+](Cc1sccc1C#CCN)C1CC1 ZINC000043683848 175092118 /nfs/dbraw/zinc/09/21/18/175092118.db2.gz QYXILPZPOAVROO-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CC(C)C[C@@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043684185 175092755 /nfs/dbraw/zinc/09/27/55/175092755.db2.gz SIYZWTAPDMSCSX-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043684185 175092756 /nfs/dbraw/zinc/09/27/56/175092756.db2.gz SIYZWTAPDMSCSX-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[N@H+](Cc1ccc(C#CCN)s1)C1CC1 ZINC000043684181 175093322 /nfs/dbraw/zinc/09/33/22/175093322.db2.gz QEFSUSNYDFPVDM-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)C[N@@H+](Cc1ccc(C#CCN)s1)C1CC1 ZINC000043684181 175093324 /nfs/dbraw/zinc/09/33/24/175093324.db2.gz QEFSUSNYDFPVDM-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@H]([N@H+](C)Cc1cc(C#CCN)cs1)C(C)(C)C ZINC000043689126 175096167 /nfs/dbraw/zinc/09/61/67/175096167.db2.gz LMHZLOIESMSSMG-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@H]([N@@H+](C)Cc1cc(C#CCN)cs1)C(C)(C)C ZINC000043689126 175096169 /nfs/dbraw/zinc/09/61/69/175096169.db2.gz LMHZLOIESMSSMG-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO N#CCCNCCCCCCCCC[NH2+]CCC#N ZINC000584650301 348701995 /nfs/dbraw/zinc/70/19/95/348701995.db2.gz AGWLWSMEVQTPKV-UHFFFAOYSA-N 1 3 264.417 2.724 10 30 CFEEHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388305053 382605506 /nfs/dbraw/zinc/60/55/06/382605506.db2.gz GOZNEHWXYVSMCA-XJKCOSOUSA-N 1 3 257.381 2.536 10 30 CFEEHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388305053 382605510 /nfs/dbraw/zinc/60/55/10/382605510.db2.gz GOZNEHWXYVSMCA-XJKCOSOUSA-N 1 3 257.381 2.536 10 30 CFEEHO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388305053 382605512 /nfs/dbraw/zinc/60/55/12/382605512.db2.gz GOZNEHWXYVSMCA-XJKCOSOUSA-N 1 3 257.381 2.536 10 30 CFEEHO CCCCC[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683665 175092039 /nfs/dbraw/zinc/09/20/39/175092039.db2.gz HWKPVHHVYXFRBG-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CCCCC[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683665 175092041 /nfs/dbraw/zinc/09/20/41/175092041.db2.gz HWKPVHHVYXFRBG-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CC[C@@H](C)C[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688899 175095603 /nfs/dbraw/zinc/09/56/03/175095603.db2.gz PMIQUXYUNNIRTH-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688899 175095604 /nfs/dbraw/zinc/09/56/04/175095604.db2.gz PMIQUXYUNNIRTH-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000249051724 334326023 /nfs/dbraw/zinc/32/60/23/334326023.db2.gz XPUHTDJEGAMNSF-BZUAXINKSA-N 1 3 263.429 2.779 10 30 CFEEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000249051724 334326024 /nfs/dbraw/zinc/32/60/24/334326024.db2.gz XPUHTDJEGAMNSF-BZUAXINKSA-N 1 3 263.429 2.779 10 30 CFEEHO CN1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205635 523793938 /nfs/dbraw/zinc/79/39/38/523793938.db2.gz KJVOIQUKGBPRFO-MRXNPFEDSA-N 1 3 257.381 2.522 10 30 CFEEHO CC(C)[NH+](Cc1cc(C#CCN)cs1)C(C)C ZINC000725273770 539629816 /nfs/dbraw/zinc/62/98/16/539629816.db2.gz CEPLCALQNWAFEH-UHFFFAOYSA-N 1 3 250.411 2.677 10 30 CFEEHO CCC[N@H+](Cc1ccc(C#CCN)s1)C(C)C ZINC000043683635 175091837 /nfs/dbraw/zinc/09/18/37/175091837.db2.gz FQLYPDTZEZFADP-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[N@@H+](Cc1ccc(C#CCN)s1)C(C)C ZINC000043683635 175091839 /nfs/dbraw/zinc/09/18/39/175091839.db2.gz FQLYPDTZEZFADP-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#CCN)s1 ZINC000043683626 175091858 /nfs/dbraw/zinc/09/18/58/175091858.db2.gz LOABUSKRKBOMGZ-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#CCN)s1 ZINC000043683626 175091859 /nfs/dbraw/zinc/09/18/59/175091859.db2.gz LOABUSKRKBOMGZ-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683745 175092144 /nfs/dbraw/zinc/09/21/44/175092144.db2.gz WVPIMPMEVGOTJC-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683745 175092145 /nfs/dbraw/zinc/09/21/45/175092145.db2.gz WVPIMPMEVGOTJC-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043683563 175092294 /nfs/dbraw/zinc/09/22/94/175092294.db2.gz LFQMBPIGWAXXKI-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043683563 175092296 /nfs/dbraw/zinc/09/22/96/175092296.db2.gz LFQMBPIGWAXXKI-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO CCCC[N@H+](Cc1cc(C#CCN)cs1)C1CC1 ZINC000043688966 175096052 /nfs/dbraw/zinc/09/60/52/175096052.db2.gz YGYTWYPNUIRFHP-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCCC[N@@H+](Cc1cc(C#CCN)cs1)C1CC1 ZINC000043688966 175096054 /nfs/dbraw/zinc/09/60/54/175096054.db2.gz YGYTWYPNUIRFHP-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)[C@@H]1C ZINC000050566665 618136064 /nfs/dbraw/zinc/13/60/64/618136064.db2.gz URIPLTDCDDVJBH-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)[C@@H]1C ZINC000050566665 618136065 /nfs/dbraw/zinc/13/60/65/618136065.db2.gz URIPLTDCDDVJBH-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)CC[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689024 175095206 /nfs/dbraw/zinc/09/52/06/175095206.db2.gz ZGUWBPTYVFKTDL-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)CC[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689024 175095207 /nfs/dbraw/zinc/09/52/07/175095207.db2.gz ZGUWBPTYVFKTDL-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000193045302 277394382 /nfs/dbraw/zinc/39/43/82/277394382.db2.gz XPUHTDJEGAMNSF-ARFHVFGLSA-N 1 3 263.429 2.779 10 30 CFEEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000193045302 277394383 /nfs/dbraw/zinc/39/43/83/277394383.db2.gz XPUHTDJEGAMNSF-ARFHVFGLSA-N 1 3 263.429 2.779 10 30 CFEEHO CN1CCCC[C@@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205639 523792319 /nfs/dbraw/zinc/79/23/19/523792319.db2.gz RZCUNCJYRSYOCS-MRXNPFEDSA-N 1 3 257.381 2.522 10 30 CFEEHO CN(C)CCC[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738281 372046854 /nfs/dbraw/zinc/04/68/54/372046854.db2.gz AKBLTSXPRUVMOS-QGZVFWFLSA-N 1 3 271.408 2.689 10 30 CFEEHO CN(C)CCC[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738281 372046859 /nfs/dbraw/zinc/04/68/59/372046859.db2.gz AKBLTSXPRUVMOS-QGZVFWFLSA-N 1 3 271.408 2.689 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043683616 175091552 /nfs/dbraw/zinc/09/15/52/175091552.db2.gz USRGFTWULDPWCG-ZDUSSCGKSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043683616 175091553 /nfs/dbraw/zinc/09/15/53/175091553.db2.gz USRGFTWULDPWCG-ZDUSSCGKSA-N 1 3 262.422 2.823 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683716 175092225 /nfs/dbraw/zinc/09/22/25/175092225.db2.gz FHRMLZPGBFGNQZ-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683716 175092226 /nfs/dbraw/zinc/09/22/26/175092226.db2.gz FHRMLZPGBFGNQZ-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609253 521543400 /nfs/dbraw/zinc/54/34/00/521543400.db2.gz UYXWDBSLAVGLMN-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609253 521543409 /nfs/dbraw/zinc/54/34/09/521543409.db2.gz UYXWDBSLAVGLMN-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[N@H+](Cc1cc(C#CCN)ccc1OC)C(C)C ZINC000049608956 521681304 /nfs/dbraw/zinc/68/13/04/521681304.db2.gz XEKOSQVXSGNYMQ-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[N@@H+](Cc1cc(C#CCN)ccc1OC)C(C)C ZINC000049608956 521681306 /nfs/dbraw/zinc/68/13/06/521681306.db2.gz XEKOSQVXSGNYMQ-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CN(CCC[NH2+]CCCCC#N)C1CCCCC1 ZINC000049578446 522772830 /nfs/dbraw/zinc/77/28/30/522772830.db2.gz YLCITAWBMSBEKW-UHFFFAOYSA-N 1 3 251.418 2.924 10 30 CFEEHO C[N@H+](CCCNCCCCC#N)C1CCCCC1 ZINC000049578446 522772836 /nfs/dbraw/zinc/77/28/36/522772836.db2.gz YLCITAWBMSBEKW-UHFFFAOYSA-N 1 3 251.418 2.924 10 30 CFEEHO C[N@@H+](CCCNCCCCC#N)C1CCCCC1 ZINC000049578446 522772839 /nfs/dbraw/zinc/77/28/39/522772839.db2.gz YLCITAWBMSBEKW-UHFFFAOYSA-N 1 3 251.418 2.924 10 30 CFEEHO CC[C@H](C)[N@H+](CC)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608942 523934945 /nfs/dbraw/zinc/93/49/45/523934945.db2.gz LMYVHVJLKTWUDF-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO CC[C@H](C)[N@@H+](CC)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608942 523934948 /nfs/dbraw/zinc/93/49/48/523934948.db2.gz LMYVHVJLKTWUDF-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO C[C@@H]1CCCCN1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608399 524115919 /nfs/dbraw/zinc/11/59/19/524115919.db2.gz IVHRUJUADLOZEN-CYBMUJFWSA-N 1 3 260.356 2.510 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1C#CCN ZINC000049608720 524362856 /nfs/dbraw/zinc/36/28/56/524362856.db2.gz NBYDDQLIDZOEKG-GASCZTMLSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C#CCN ZINC000049608720 524362864 /nfs/dbraw/zinc/36/28/64/524362864.db2.gz NBYDDQLIDZOEKG-GASCZTMLSA-N 1 3 256.393 2.760 10 30 CFEEHO Cc1ccccc1CN(C)Cc1sccc1C#CC[NH3+] ZINC000043683948 175091952 /nfs/dbraw/zinc/09/19/52/175091952.db2.gz SCGRWVXBSGGDQK-UHFFFAOYSA-N 1 3 284.428 2.999 10 30 CFEEHO CC(C)[N@@H+](Cc1sccc1C#CCN)CC1CC1 ZINC000043684194 175092916 /nfs/dbraw/zinc/09/29/16/175092916.db2.gz GTEZBQWGVRUPRZ-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)[N@H+](Cc1sccc1C#CCN)CC1CC1 ZINC000043684194 175092918 /nfs/dbraw/zinc/09/29/18/175092918.db2.gz GTEZBQWGVRUPRZ-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]([N@H+](C)Cc1sccc1C#CCN)C(C)(C)C ZINC000043684252 175092987 /nfs/dbraw/zinc/09/29/87/175092987.db2.gz TVJOHDRBUORDHK-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]([N@@H+](C)Cc1sccc1C#CCN)C(C)(C)C ZINC000043684252 175092988 /nfs/dbraw/zinc/09/29/88/175092988.db2.gz TVJOHDRBUORDHK-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688921 175096028 /nfs/dbraw/zinc/09/60/28/175096028.db2.gz RGBVVUYKSBTPOO-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688921 175096029 /nfs/dbraw/zinc/09/60/29/175096029.db2.gz RGBVVUYKSBTPOO-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608949 522085655 /nfs/dbraw/zinc/08/56/55/522085655.db2.gz AOIPJZJTLDONEQ-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608949 522085662 /nfs/dbraw/zinc/08/56/62/522085662.db2.gz AOIPJZJTLDONEQ-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2ccccc2C#CCN)C1 ZINC000049609260 523090980 /nfs/dbraw/zinc/09/09/80/523090980.db2.gz HHUOAKTWSAFANO-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2ccccc2C#CCN)C1 ZINC000049609260 523090984 /nfs/dbraw/zinc/09/09/84/523090984.db2.gz HHUOAKTWSAFANO-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO C[N@H+](Cc1ccc(C#CCN)cc1)C1CCCCC1 ZINC000049608579 523205227 /nfs/dbraw/zinc/20/52/27/523205227.db2.gz VURBKEGCJHDCHF-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C[N@@H+](Cc1ccc(C#CCN)cc1)C1CCCCC1 ZINC000049608579 523205235 /nfs/dbraw/zinc/20/52/35/523205235.db2.gz VURBKEGCJHDCHF-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049609261 523253385 /nfs/dbraw/zinc/25/33/85/523253385.db2.gz MAROTFCLROZCHI-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049609261 523253390 /nfs/dbraw/zinc/25/33/90/523253390.db2.gz MAROTFCLROZCHI-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCN)c1 ZINC000049608276 523268852 /nfs/dbraw/zinc/26/88/52/523268852.db2.gz GPFJIFQTXXARJJ-OAHLLOKOSA-N 1 3 260.356 2.510 10 30 CFEEHO CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#CCN)c1 ZINC000049608276 523268859 /nfs/dbraw/zinc/26/88/59/523268859.db2.gz GPFJIFQTXXARJJ-OAHLLOKOSA-N 1 3 260.356 2.510 10 30 CFEEHO CN(Cc1cccs1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609091 523446582 /nfs/dbraw/zinc/44/65/82/523446582.db2.gz PPFXQLBLFYYMHO-UHFFFAOYSA-N 1 3 270.401 2.690 10 30 CFEEHO CCCCCCCCCN1CCN([C@@H](C)C[NH3+])CC1 ZINC000110444211 186296407 /nfs/dbraw/zinc/29/64/07/186296407.db2.gz OVQNJBXXHSUNOC-INIZCTEOSA-N 1 3 269.477 2.702 10 30 CFEEHO N#Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261725097 383547513 /nfs/dbraw/zinc/54/75/13/383547513.db2.gz LLODPHVUJUJJJS-MOPGFXCFSA-N 1 3 291.398 2.733 10 30 CFEEHO CC[N@H+](Cc1sccc1C#CCN)C1CCCC1 ZINC000043683692 175091897 /nfs/dbraw/zinc/09/18/97/175091897.db2.gz LXHSMSWWZVJNSO-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[N@@H+](Cc1sccc1C#CCN)C1CCCC1 ZINC000043683692 175091899 /nfs/dbraw/zinc/09/18/99/175091899.db2.gz LXHSMSWWZVJNSO-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609255 521542379 /nfs/dbraw/zinc/54/23/79/521542379.db2.gz IIDYVUQHSQJMBA-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609255 521542384 /nfs/dbraw/zinc/54/23/84/521542384.db2.gz IIDYVUQHSQJMBA-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[NH+](CCC)Cc1ccc(C#CCN)cc1F ZINC000049608519 521649399 /nfs/dbraw/zinc/64/93/99/521649399.db2.gz LLYGYJQUZZFOQS-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCCCN(Cc1ccc(C#CC[NH3+])cc1F)C1CC1 ZINC000049609604 520544286 /nfs/dbraw/zinc/54/42/86/520544286.db2.gz YVFXHQUKBMMFMN-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[N@H+](Cc1ccc(F)c(C#CCN)c1)C1CCCC1 ZINC000049609174 521312747 /nfs/dbraw/zinc/31/27/47/521312747.db2.gz SGUSYFLEBSCNPO-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[N@@H+](Cc1ccc(F)c(C#CCN)c1)C1CCCC1 ZINC000049609174 521312751 /nfs/dbraw/zinc/31/27/51/521312751.db2.gz SGUSYFLEBSCNPO-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CCN ZINC000049608906 523027176 /nfs/dbraw/zinc/02/71/76/523027176.db2.gz VHUKUEZMCSXHEA-KRWDZBQOSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1Cc1ccccc1C#CCN ZINC000049608906 523027185 /nfs/dbraw/zinc/02/71/85/523027185.db2.gz VHUKUEZMCSXHEA-KRWDZBQOSA-N 1 3 256.393 2.761 10 30 CFEEHO CN(Cc1ccc(C#CC[NH3+])cc1)Cc1cccc(F)c1 ZINC000049608792 523203334 /nfs/dbraw/zinc/20/33/34/523203334.db2.gz INMBVDSSXSGKRN-UHFFFAOYSA-N 1 3 282.362 2.768 10 30 CFEEHO CN(Cc1cccs1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609096 523448179 /nfs/dbraw/zinc/44/81/79/523448179.db2.gz CHOFDEJQTSVCJQ-UHFFFAOYSA-N 1 3 270.401 2.690 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1C#CCN ZINC000049608722 524279606 /nfs/dbraw/zinc/27/96/06/524279606.db2.gz NBYDDQLIDZOEKG-HUUCEWRRSA-N 1 3 256.393 2.760 10 30 CFEEHO Cc1cccc(CN(C)Cc2ccccc2C#CC[NH3+])c1 ZINC000049609961 524377188 /nfs/dbraw/zinc/37/71/88/524377188.db2.gz QYSBUXSRPQVYIA-UHFFFAOYSA-N 1 3 278.399 2.937 10 30 CFEEHO C[C@H]1CCCCN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608404 526251644 /nfs/dbraw/zinc/25/16/44/526251644.db2.gz KZUJRQPBIJZWRP-ZDUSSCGKSA-N 1 3 260.356 2.510 10 30 CFEEHO NCC#Cc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000049608788 527152186 /nfs/dbraw/zinc/15/21/86/527152186.db2.gz CDBITGFWPNNTHJ-UHFFFAOYSA-N 1 3 256.393 2.763 10 30 CFEEHO C[NH+](C)Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000020128635 171015636 /nfs/dbraw/zinc/01/56/36/171015636.db2.gz XGUJPBVVZMLERH-UHFFFAOYSA-N 1 3 279.387 2.910 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2ccc(C#CCN)s2)C1 ZINC000043683722 175091959 /nfs/dbraw/zinc/09/19/59/175091959.db2.gz UUEQMVFNEWRCPR-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2ccc(C#CCN)s2)C1 ZINC000043683722 175091960 /nfs/dbraw/zinc/09/19/60/175091960.db2.gz UUEQMVFNEWRCPR-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[N@@H+](Cc1ccccc1C#CCN)C1CCCC1 ZINC000049609166 521375786 /nfs/dbraw/zinc/37/57/86/521375786.db2.gz GOVCQGDCTUTBEV-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO CCCN(Cc1ccc(C#CC[NH3+])cc1F)C1CC1 ZINC000049608969 521681641 /nfs/dbraw/zinc/68/16/41/521681641.db2.gz JTLMSIJPURTZOG-UHFFFAOYSA-N 1 3 260.356 2.510 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609239 519791186 /nfs/dbraw/zinc/79/11/86/519791186.db2.gz WTOUNQPPPBUGEW-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609239 519791187 /nfs/dbraw/zinc/79/11/87/519791187.db2.gz WTOUNQPPPBUGEW-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609240 519811908 /nfs/dbraw/zinc/81/19/08/519811908.db2.gz WTOUNQPPPBUGEW-ZDUSSCGKSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609240 519811909 /nfs/dbraw/zinc/81/19/09/519811909.db2.gz WTOUNQPPPBUGEW-ZDUSSCGKSA-N 1 3 262.372 2.612 10 30 CFEEHO CC[N@H+](Cc1ccccc1C#CCN)C1CCCC1 ZINC000049609166 521375779 /nfs/dbraw/zinc/37/57/79/521375779.db2.gz GOVCQGDCTUTBEV-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C[N@H+](Cc1ccccc1C#CCN)C1CCCCC1 ZINC000049608578 523357596 /nfs/dbraw/zinc/35/75/96/523357596.db2.gz QXMAODHUIXKGRG-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C[N@@H+](Cc1ccccc1C#CCN)C1CCCCC1 ZINC000049608578 523357601 /nfs/dbraw/zinc/35/76/01/523357601.db2.gz QXMAODHUIXKGRG-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2ccccc2C#CCN)[C@@H]1C ZINC000050566681 524235607 /nfs/dbraw/zinc/23/56/07/524235607.db2.gz YPJFSMDEKGGTRP-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2ccccc2C#CCN)[C@@H]1C ZINC000050566681 524235611 /nfs/dbraw/zinc/23/56/11/524235611.db2.gz YPJFSMDEKGGTRP-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1Cc1sccc1C#CCN ZINC000043683620 175091575 /nfs/dbraw/zinc/09/15/75/175091575.db2.gz NOMMGWYGSWNNQM-AWEZNQCLSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1Cc1sccc1C#CCN ZINC000043683620 175091577 /nfs/dbraw/zinc/09/15/77/175091577.db2.gz NOMMGWYGSWNNQM-AWEZNQCLSA-N 1 3 262.422 2.823 10 30 CFEEHO Cc1ccc(CN(C)Cc2ccc(C#CC[NH3+])s2)cc1 ZINC000043683581 175091882 /nfs/dbraw/zinc/09/18/82/175091882.db2.gz KTCNEZUBQYUNBU-UHFFFAOYSA-N 1 3 284.428 2.999 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043683708 175092243 /nfs/dbraw/zinc/09/22/43/175092243.db2.gz YPZIUIWTDPFBSB-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043683708 175092244 /nfs/dbraw/zinc/09/22/44/175092244.db2.gz YPZIUIWTDPFBSB-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688925 175095225 /nfs/dbraw/zinc/09/52/25/175095225.db2.gz GUKMLBNQCUUUQJ-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688925 175095228 /nfs/dbraw/zinc/09/52/28/175095228.db2.gz GUKMLBNQCUUUQJ-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(C#CCN)cs1 ZINC000043688845 175095698 /nfs/dbraw/zinc/09/56/98/175095698.db2.gz NAHLDWFKIQLVJR-STQMWFEESA-N 1 3 262.422 2.821 10 30 CFEEHO Cc1ccccc1CN(C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689006 175096035 /nfs/dbraw/zinc/09/60/35/175096035.db2.gz GXGKJDWAWPEKEY-UHFFFAOYSA-N 1 3 284.428 2.999 10 30 CFEEHO CCCCC[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609043 520150856 /nfs/dbraw/zinc/15/08/56/520150856.db2.gz CVKJVCGDEBIEKT-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CCCCC[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609043 520150862 /nfs/dbraw/zinc/15/08/62/520150862.db2.gz CVKJVCGDEBIEKT-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CCC(C)(C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000069443122 521303910 /nfs/dbraw/zinc/30/39/10/521303910.db2.gz LMMPFZVYNQQBQE-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(C)(C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000069443122 521303918 /nfs/dbraw/zinc/30/39/18/521303918.db2.gz LMMPFZVYNQQBQE-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609029 521971238 /nfs/dbraw/zinc/97/12/38/521971238.db2.gz PVYOHEMCKDVTEL-CYBMUJFWSA-N 1 3 262.372 2.614 10 30 CFEEHO CC[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609029 521971249 /nfs/dbraw/zinc/97/12/49/521971249.db2.gz PVYOHEMCKDVTEL-CYBMUJFWSA-N 1 3 262.372 2.614 10 30 CFEEHO C=C(C)CN(CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052423404 518600635 /nfs/dbraw/zinc/60/06/35/518600635.db2.gz HSIWFPGSWTTZMG-UHFFFAOYSA-N 1 3 262.397 2.683 10 30 CFEEHO CC[N@H+](Cc1ccc(C#CCN)cc1F)C1CCCC1 ZINC000049609171 521298563 /nfs/dbraw/zinc/29/85/63/521298563.db2.gz BMLMESXKXPRQAF-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[N@@H+](Cc1ccc(C#CCN)cc1F)C1CCCC1 ZINC000049609171 521298570 /nfs/dbraw/zinc/29/85/70/521298570.db2.gz BMLMESXKXPRQAF-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CCC[N@H+](Cc1ccc(OC)c(C#CCN)c1)C(C)C ZINC000049608957 521684229 /nfs/dbraw/zinc/68/42/29/521684229.db2.gz XYZBMERIFBRUCZ-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)C(C)C ZINC000049608957 521684232 /nfs/dbraw/zinc/68/42/32/521684232.db2.gz XYZBMERIFBRUCZ-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CN1CCCC[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205641 523798118 /nfs/dbraw/zinc/79/81/18/523798118.db2.gz RZCUNCJYRSYOCS-INIZCTEOSA-N 1 3 257.381 2.522 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C#CCN)c1 ZINC000049608739 524191224 /nfs/dbraw/zinc/19/12/24/524191224.db2.gz VEVATIFVIKLYBX-GJZGRUSLSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(F)cc2C#CCN)C1 ZINC000049608646 525385320 /nfs/dbraw/zinc/38/53/20/525385320.db2.gz GOJWNQIVRSSGQV-OKILXGFUSA-N 1 3 274.383 2.614 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)cc2C#CCN)C1 ZINC000049608646 525385326 /nfs/dbraw/zinc/38/53/26/525385326.db2.gz GOJWNQIVRSSGQV-OKILXGFUSA-N 1 3 274.383 2.614 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C#CCN)c1 ZINC000050566698 525643113 /nfs/dbraw/zinc/64/31/13/525643113.db2.gz OYLLGGUSAURAPP-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C#CCN)c1 ZINC000050566698 525643121 /nfs/dbraw/zinc/64/31/21/525643121.db2.gz OYLLGGUSAURAPP-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683705 175091780 /nfs/dbraw/zinc/09/17/80/175091780.db2.gz FATHNTCGAKFJBO-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683705 175091783 /nfs/dbraw/zinc/09/17/83/175091783.db2.gz FATHNTCGAKFJBO-GFCCVEGCSA-N 1 3 250.411 2.535 10 30 CFEEHO CCC1CC[NH+](Cc2sccc2C#CCN)CC1 ZINC000043684035 175092195 /nfs/dbraw/zinc/09/21/95/175092195.db2.gz SRNWEGAVNRVOIO-UHFFFAOYSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2sccc2C#CCN)C1 ZINC000043683725 175092216 /nfs/dbraw/zinc/09/22/16/175092216.db2.gz ZUHTZDCBXXLPOQ-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2sccc2C#CCN)C1 ZINC000043683725 175092217 /nfs/dbraw/zinc/09/22/17/175092217.db2.gz ZUHTZDCBXXLPOQ-ZDUSSCGKSA-N 1 3 262.422 2.680 10 30 CFEEHO CCC[N@H+](Cc1sccc1C#CCN)C(C)C ZINC000043683637 175092324 /nfs/dbraw/zinc/09/23/24/175092324.db2.gz GAHFWZQYICMCJW-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[N@@H+](Cc1sccc1C#CCN)C(C)C ZINC000043683637 175092325 /nfs/dbraw/zinc/09/23/25/175092325.db2.gz GAHFWZQYICMCJW-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609256 521541593 /nfs/dbraw/zinc/54/15/93/521541593.db2.gz LFKOXSFIQOYCNN-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609256 521541602 /nfs/dbraw/zinc/54/16/02/521541602.db2.gz LFKOXSFIQOYCNN-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCCC[N@H+](Cc1ccc(F)cc1C#CCN)C1CC1 ZINC000049609606 520543630 /nfs/dbraw/zinc/54/36/30/520543630.db2.gz ZZFAFLWJGPPMDA-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CCCC[N@@H+](Cc1ccc(F)cc1C#CCN)C1CC1 ZINC000049609606 520543642 /nfs/dbraw/zinc/54/36/42/520543642.db2.gz ZZFAFLWJGPPMDA-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608913 523176062 /nfs/dbraw/zinc/17/60/62/523176062.db2.gz AIBWJAUCWHISFY-QGZVFWFLSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608913 523176072 /nfs/dbraw/zinc/17/60/72/523176072.db2.gz AIBWJAUCWHISFY-QGZVFWFLSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608911 523178398 /nfs/dbraw/zinc/17/83/98/523178398.db2.gz LROHDWYAJXWEDH-QGZVFWFLSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608911 523178405 /nfs/dbraw/zinc/17/84/05/523178405.db2.gz LROHDWYAJXWEDH-QGZVFWFLSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2cc(C#CCN)ccc2OC)C1 ZINC000049609263 523248979 /nfs/dbraw/zinc/24/89/79/523248979.db2.gz FOWRKMILVULGQW-OAHLLOKOSA-N 1 3 286.419 2.627 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2cc(C#CCN)ccc2OC)C1 ZINC000049609263 523248984 /nfs/dbraw/zinc/24/89/84/523248984.db2.gz FOWRKMILVULGQW-OAHLLOKOSA-N 1 3 286.419 2.627 10 30 CFEEHO CC[C@H](C)[N@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608940 523934962 /nfs/dbraw/zinc/93/49/62/523934962.db2.gz JJNGIGNAJIHWRE-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO CC[C@H](C)[N@@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608940 523934965 /nfs/dbraw/zinc/93/49/65/523934965.db2.gz JJNGIGNAJIHWRE-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO COc1ccc(C[NH+]2CCCCCCC2)cc1C#CCN ZINC000049608785 524025241 /nfs/dbraw/zinc/02/52/41/524025241.db2.gz QXGRUZBMGNTXEE-UHFFFAOYSA-N 1 3 286.419 2.772 10 30 CFEEHO NCC#Cc1cc(F)ccc1C[NH+]1CCCCCCC1 ZINC000049608789 527147126 /nfs/dbraw/zinc/14/71/26/527147126.db2.gz KRZGQQRZNYQYQZ-UHFFFAOYSA-N 1 3 274.383 2.902 10 30 CFEEHO NCC#Cc1ccc(OCC[NH+]2CCCCCCC2)cc1 ZINC000049608781 527152337 /nfs/dbraw/zinc/15/23/37/527152337.db2.gz VYTUHXUALWNRLC-UHFFFAOYSA-N 1 3 286.419 2.642 10 30 CFEEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000193045331 382714918 /nfs/dbraw/zinc/71/49/18/382714918.db2.gz XPUHTDJEGAMNSF-HRCADAONSA-N 1 3 263.429 2.779 10 30 CFEEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000193045331 382714919 /nfs/dbraw/zinc/71/49/19/382714919.db2.gz XPUHTDJEGAMNSF-HRCADAONSA-N 1 3 263.429 2.779 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1sccc1C#CCN ZINC000043683630 175091541 /nfs/dbraw/zinc/09/15/41/175091541.db2.gz CXGAIEGZQDFXIF-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1sccc1C#CCN ZINC000043683630 175091544 /nfs/dbraw/zinc/09/15/44/175091544.db2.gz CXGAIEGZQDFXIF-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO Cc1cccc(CN(C)Cc2sccc2C#CC[NH3+])c1 ZINC000043684055 175092251 /nfs/dbraw/zinc/09/22/51/175092251.db2.gz DRJAOOJRFLKWAR-UHFFFAOYSA-N 1 3 284.428 2.999 10 30 CFEEHO CCC(CC)[N@H+](CCOC)Cc1sccc1C#CCN ZINC000043684226 175092579 /nfs/dbraw/zinc/09/25/79/175092579.db2.gz DATFCEADJWOIKS-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CCC(CC)[N@@H+](CCOC)Cc1sccc1C#CCN ZINC000043684226 175092580 /nfs/dbraw/zinc/09/25/80/175092580.db2.gz DATFCEADJWOIKS-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CCCCC[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609048 520153307 /nfs/dbraw/zinc/15/33/07/520153307.db2.gz GEELSAZREFLQJY-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCCCC[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609048 520153312 /nfs/dbraw/zinc/15/33/12/520153312.db2.gz GEELSAZREFLQJY-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609234 519811813 /nfs/dbraw/zinc/81/18/13/519811813.db2.gz XCQOWQALSPTRRN-ZDUSSCGKSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609234 519811814 /nfs/dbraw/zinc/81/18/14/519811814.db2.gz XCQOWQALSPTRRN-ZDUSSCGKSA-N 1 3 262.372 2.612 10 30 CFEEHO CCCCCCC[C@@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000059352352 520066897 /nfs/dbraw/zinc/06/68/97/520066897.db2.gz XWIYWELUNMIABM-INIZCTEOSA-N 1 3 269.477 2.700 10 30 CFEEHO COc1ccc(C#CCN)cc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000049608728 523514573 /nfs/dbraw/zinc/51/45/73/523514573.db2.gz OXEILHLOQYBXIG-HUUCEWRRSA-N 1 3 286.419 2.768 10 30 CFEEHO COc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C#CCN ZINC000049608730 524043602 /nfs/dbraw/zinc/04/36/02/524043602.db2.gz YZCPROQKALEPCP-GJZGRUSLSA-N 1 3 286.419 2.768 10 30 CFEEHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)c(C#CCN)c2)C1 ZINC000049608650 524884329 /nfs/dbraw/zinc/88/43/29/524884329.db2.gz LAZFABDEXXNRHQ-KBPBESRZSA-N 1 3 274.383 2.614 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(F)c(C#CCN)c2)C1 ZINC000049608649 525385692 /nfs/dbraw/zinc/38/56/92/525385692.db2.gz LAZFABDEXXNRHQ-OKILXGFUSA-N 1 3 274.383 2.614 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)c(C#CCN)c2)C1 ZINC000049608649 525385697 /nfs/dbraw/zinc/38/56/97/525385697.db2.gz LAZFABDEXXNRHQ-OKILXGFUSA-N 1 3 274.383 2.614 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1C#CCN ZINC000050566682 525641242 /nfs/dbraw/zinc/64/12/42/525641242.db2.gz YPJFSMDEKGGTRP-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1C#CCN ZINC000050566682 525641245 /nfs/dbraw/zinc/64/12/45/525641245.db2.gz YPJFSMDEKGGTRP-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817885 179345848 /nfs/dbraw/zinc/34/58/48/179345848.db2.gz PAXBTEMLDIGBJH-BBRMVZONSA-N 1 3 257.381 2.693 10 30 CFEEHO C[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817885 179345849 /nfs/dbraw/zinc/34/58/49/179345849.db2.gz PAXBTEMLDIGBJH-BBRMVZONSA-N 1 3 257.381 2.693 10 30 CFEEHO C[NH+](C)CC1CCN([C@H]2CCCCC[C@H]2C#N)CC1 ZINC000042393658 174708040 /nfs/dbraw/zinc/70/80/40/174708040.db2.gz PTAGXGBLZOHOBC-HOTGVXAUSA-N 1 3 263.429 2.732 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043683747 175091718 /nfs/dbraw/zinc/09/17/18/175091718.db2.gz AGOLPKGNENTDGQ-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043683747 175091720 /nfs/dbraw/zinc/09/17/20/175091720.db2.gz AGOLPKGNENTDGQ-GFCCVEGCSA-N 1 3 250.411 2.679 10 30 CFEEHO Cc1ccccc1CN(C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683946 175091964 /nfs/dbraw/zinc/09/19/64/175091964.db2.gz CZQNSUAKQYKFCL-UHFFFAOYSA-N 1 3 284.428 2.999 10 30 CFEEHO CC[C@H](C)[N@H+](CC)Cc1ccc(C#CCN)s1 ZINC000043683628 175092185 /nfs/dbraw/zinc/09/21/85/175092185.db2.gz LOABUSKRKBOMGZ-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#CCN)s1 ZINC000043683628 175092186 /nfs/dbraw/zinc/09/21/86/175092186.db2.gz LOABUSKRKBOMGZ-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689117 175095365 /nfs/dbraw/zinc/09/53/65/175095365.db2.gz RFXNFAJWFUGJCU-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CCC(CC)[N@@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689117 175095366 /nfs/dbraw/zinc/09/53/66/175095366.db2.gz RFXNFAJWFUGJCU-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CC(C)C[N@H+](Cc1cc(C#CCN)cs1)C1CC1 ZINC000043689101 175096005 /nfs/dbraw/zinc/09/60/05/175096005.db2.gz YHVQWROAOOLVAI-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)C[N@@H+](Cc1cc(C#CCN)cs1)C1CC1 ZINC000043689101 175096007 /nfs/dbraw/zinc/09/60/07/175096007.db2.gz YHVQWROAOOLVAI-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)CCN(C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609904 519651079 /nfs/dbraw/zinc/65/10/79/519651079.db2.gz WFYACQVFKLLKHY-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CCC1CC[NH+](Cc2ccccc2C#CCN)CC1 ZINC000049609924 519859616 /nfs/dbraw/zinc/85/96/16/519859616.db2.gz NTSQBZBZTCVJMS-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608907 523178021 /nfs/dbraw/zinc/17/80/21/523178021.db2.gz QTGDXYLAPSASJU-QGZVFWFLSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608907 523178026 /nfs/dbraw/zinc/17/80/26/523178026.db2.gz QTGDXYLAPSASJU-QGZVFWFLSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049609271 523251860 /nfs/dbraw/zinc/25/18/60/523251860.db2.gz HXFGPHWTRZJLGB-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049609271 523251864 /nfs/dbraw/zinc/25/18/64/523251864.db2.gz HXFGPHWTRZJLGB-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO C[N@H+](Cc1cc(C#CCN)cs1)C1CCCCC1 ZINC000043690889 570261720 /nfs/dbraw/zinc/26/17/20/570261720.db2.gz YCSCOHNDBOLBGQ-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO C[N@@H+](Cc1cc(C#CCN)cs1)C1CCCCC1 ZINC000043690889 570261721 /nfs/dbraw/zinc/26/17/21/570261721.db2.gz YCSCOHNDBOLBGQ-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO C[N@H+](Cc1ccc(C#CCN)s1)CC(C)(C)C ZINC000045086717 175304316 /nfs/dbraw/zinc/30/43/16/175304316.db2.gz JXQIUTYVYFSFOU-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO C[N@@H+](Cc1ccc(C#CCN)s1)CC(C)(C)C ZINC000045086717 175304317 /nfs/dbraw/zinc/30/43/17/175304317.db2.gz JXQIUTYVYFSFOU-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)[N@H+](C)CCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054828570 519616845 /nfs/dbraw/zinc/61/68/45/519616845.db2.gz OXMDHXYLFNCOPY-HUUCEWRRSA-N 1 3 251.418 2.779 10 30 CFEEHO CC(C)[N@@H+](C)CCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054828570 519616852 /nfs/dbraw/zinc/61/68/52/519616852.db2.gz OXMDHXYLFNCOPY-HUUCEWRRSA-N 1 3 251.418 2.779 10 30 CFEEHO CCC[N@@H+](Cc1ccccc1C#CCN)CC1CC1 ZINC000049609633 521686746 /nfs/dbraw/zinc/68/67/46/521686746.db2.gz OXZGVBAIUVOYHH-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CCC[N@H+](Cc1ccccc1C#CCN)CC1CC1 ZINC000049609633 521686750 /nfs/dbraw/zinc/68/67/50/521686750.db2.gz OXZGVBAIUVOYHH-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@H](C)[N@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608950 523934068 /nfs/dbraw/zinc/93/40/68/523934068.db2.gz AOIPJZJTLDONEQ-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@H](C)[N@@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608950 523934072 /nfs/dbraw/zinc/93/40/72/523934072.db2.gz AOIPJZJTLDONEQ-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO C[C@@H]1CCCCN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608403 524114117 /nfs/dbraw/zinc/11/41/17/524114117.db2.gz KZUJRQPBIJZWRP-CYBMUJFWSA-N 1 3 260.356 2.510 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccc(C#CCN)cc1 ZINC000049608718 524191522 /nfs/dbraw/zinc/19/15/22/524191522.db2.gz RDNIJWMLAUGHHE-HOTGVXAUSA-N 1 3 286.419 2.639 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608717 524364116 /nfs/dbraw/zinc/36/41/16/524364116.db2.gz RDNIJWMLAUGHHE-IYBDPMFKSA-N 1 3 286.419 2.639 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608717 524364123 /nfs/dbraw/zinc/36/41/23/524364123.db2.gz RDNIJWMLAUGHHE-IYBDPMFKSA-N 1 3 286.419 2.639 10 30 CFEEHO CC(C)C[N@H+](Cc1sccc1C#CCN)C1CC1 ZINC000043684182 175092849 /nfs/dbraw/zinc/09/28/49/175092849.db2.gz RZFQQJKDNXFVPR-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)C[N@@H+](Cc1sccc1C#CCN)C1CC1 ZINC000043684182 175092851 /nfs/dbraw/zinc/09/28/51/175092851.db2.gz RZFQQJKDNXFVPR-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CCC[NH+](CCC)Cc1cc(C#CCN)cs1 ZINC000043688806 175095336 /nfs/dbraw/zinc/09/53/36/175095336.db2.gz RECRCDHAPAQCRI-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CCC1CC[NH+](Cc2cccc(C#CCN)c2)CC1 ZINC000049609930 519859404 /nfs/dbraw/zinc/85/94/04/519859404.db2.gz QPDZRUVHOKWAEI-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CCC[NH+]1CCC([C@H](C)N[C@H](CC)CC#N)CC1 ZINC000054183406 519847725 /nfs/dbraw/zinc/84/77/25/519847725.db2.gz NQRBEAQWIGMSJB-DZGCQCFKSA-N 1 3 251.418 2.779 10 30 CFEEHO CCC(C)(C)[N@H+](C)Cc1sccc1C#CCN ZINC000069443118 521307375 /nfs/dbraw/zinc/30/73/75/521307375.db2.gz GPNJSWVEOMXOIM-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(C)(C)[N@@H+](C)Cc1sccc1C#CCN ZINC000069443118 521307380 /nfs/dbraw/zinc/30/73/80/521307380.db2.gz GPNJSWVEOMXOIM-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[N@H+](Cc1ccc(F)cc1C#CCN)C(C)C ZINC000049608961 521684288 /nfs/dbraw/zinc/68/42/88/521684288.db2.gz JKZPFVRCHAIBTK-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[N@@H+](Cc1ccc(F)cc1C#CCN)C(C)C ZINC000049608961 521684289 /nfs/dbraw/zinc/68/42/89/521684289.db2.gz JKZPFVRCHAIBTK-UHFFFAOYSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608914 523028049 /nfs/dbraw/zinc/02/80/49/523028049.db2.gz AIBWJAUCWHISFY-KRWDZBQOSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608914 523028057 /nfs/dbraw/zinc/02/80/57/523028057.db2.gz AIBWJAUCWHISFY-KRWDZBQOSA-N 1 3 286.419 2.640 10 30 CFEEHO CN(Cc1ccc(F)cc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609960 523251132 /nfs/dbraw/zinc/25/11/32/523251132.db2.gz XJKFALMEQUGEHG-UHFFFAOYSA-N 1 3 282.362 2.768 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#CCN)s1 ZINC000043683564 175092272 /nfs/dbraw/zinc/09/22/72/175092272.db2.gz LFQMBPIGWAXXKI-STQMWFEESA-N 1 3 262.422 2.821 10 30 CFEEHO CC(C)[N@@H+](Cc1ccc(C#CCN)s1)CC1CC1 ZINC000043684193 175092786 /nfs/dbraw/zinc/09/27/86/175092786.db2.gz AQGSUBZILQWOTM-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)[N@H+](Cc1ccc(C#CCN)s1)CC1CC1 ZINC000043684193 175092787 /nfs/dbraw/zinc/09/27/87/175092787.db2.gz AQGSUBZILQWOTM-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@H]([N@H+](C)Cc1sccc1C#CCN)C(C)(C)C ZINC000043684251 175092891 /nfs/dbraw/zinc/09/28/91/175092891.db2.gz TVJOHDRBUORDHK-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@H]([N@@H+](C)Cc1sccc1C#CCN)C(C)(C)C ZINC000043684251 175092892 /nfs/dbraw/zinc/09/28/92/175092892.db2.gz TVJOHDRBUORDHK-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO CN(Cc1cc(C#CC[NH3+])cs1)Cc1ccccc1 ZINC000043688810 175096014 /nfs/dbraw/zinc/09/60/14/175096014.db2.gz KJGAVQAURZZWIB-UHFFFAOYSA-N 1 3 270.401 2.690 10 30 CFEEHO CCCC[N@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608566 520478201 /nfs/dbraw/zinc/47/82/01/520478201.db2.gz CBIDKGYCLWIPKC-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCCC[N@@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608566 520478209 /nfs/dbraw/zinc/47/82/09/520478209.db2.gz CBIDKGYCLWIPKC-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CC[N@H+](Cc1cccc(C#CCN)c1)C1CCCC1 ZINC000049609172 521336907 /nfs/dbraw/zinc/33/69/07/521336907.db2.gz FCCVRIPGBZMLQN-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[N@@H+](Cc1cccc(C#CCN)c1)C1CCCC1 ZINC000049609172 521336918 /nfs/dbraw/zinc/33/69/18/521336918.db2.gz FCCVRIPGBZMLQN-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C=CCN(CC=C)CCOc1cccc(C[NH2+]CC)c1 ZINC000052376531 518769438 /nfs/dbraw/zinc/76/94/38/518769438.db2.gz ZQENGFMLOFQQBL-UHFFFAOYSA-N 1 3 274.408 2.849 10 30 CFEEHO C=CCN(CC=C)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052376700 518771560 /nfs/dbraw/zinc/77/15/60/518771560.db2.gz OOZCBRGWWKZPTR-GJZGRUSLSA-N 1 3 266.429 2.596 10 30 CFEEHO CCC[N@H+](Cc1ccc(F)cc1C#CCN)C1CC1 ZINC000049608971 521684079 /nfs/dbraw/zinc/68/40/79/521684079.db2.gz CKJUEFPPPWJGIC-UHFFFAOYSA-N 1 3 260.356 2.510 10 30 CFEEHO CCC[N@@H+](Cc1ccc(F)cc1C#CCN)C1CC1 ZINC000049608971 521684080 /nfs/dbraw/zinc/68/40/80/521684080.db2.gz CKJUEFPPPWJGIC-UHFFFAOYSA-N 1 3 260.356 2.510 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C#CCN)c1 ZINC000049608738 524364348 /nfs/dbraw/zinc/36/43/48/524364348.db2.gz VEVATIFVIKLYBX-GASCZTMLSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C#CCN)c1 ZINC000049608738 524364352 /nfs/dbraw/zinc/36/43/52/524364352.db2.gz VEVATIFVIKLYBX-GASCZTMLSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@H](c1ccc(C#N)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749003 174393990 /nfs/dbraw/zinc/39/39/90/174393990.db2.gz KNOGLYHKMHSLQU-GVZPALNKSA-N 1 3 255.365 2.573 10 30 CFEEHO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683657 175091626 /nfs/dbraw/zinc/09/16/26/175091626.db2.gz QESKOTNCNNEAEL-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683657 175091627 /nfs/dbraw/zinc/09/16/27/175091627.db2.gz QESKOTNCNNEAEL-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684184 175093136 /nfs/dbraw/zinc/09/31/36/175093136.db2.gz IIXJWWXUULKEKK-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043684184 175093137 /nfs/dbraw/zinc/09/31/37/175093137.db2.gz IIXJWWXUULKEKK-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO NCC#Cc1csc(C[NH+]2CCCCCCC2)c1 ZINC000043688860 175095340 /nfs/dbraw/zinc/09/53/40/175095340.db2.gz KJLMOMGALWBLER-UHFFFAOYSA-N 1 3 262.422 2.824 10 30 CFEEHO CC(C)[N@@H+](Cc1cc(C#CCN)cs1)CC1CC1 ZINC000043689107 175095747 /nfs/dbraw/zinc/09/57/47/175095747.db2.gz PKIIUWDIJMEBOB-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC(C)[N@H+](Cc1cc(C#CCN)cs1)CC1CC1 ZINC000043689107 175095749 /nfs/dbraw/zinc/09/57/49/175095749.db2.gz PKIIUWDIJMEBOB-UHFFFAOYSA-N 1 3 262.422 2.679 10 30 CFEEHO CC[N@@H+](Cc1cc(C#CCN)cs1)CC(C)C ZINC000043688879 175095763 /nfs/dbraw/zinc/09/57/63/175095763.db2.gz XCRDYYWXNFCNRA-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[N@H+](Cc1cc(C#CCN)cs1)CC(C)C ZINC000043688879 175095765 /nfs/dbraw/zinc/09/57/65/175095765.db2.gz XCRDYYWXNFCNRA-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[C@@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689102 175095937 /nfs/dbraw/zinc/09/59/37/175095937.db2.gz LOEMRCKOUIOXTB-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689102 175095938 /nfs/dbraw/zinc/09/59/38/175095938.db2.gz LOEMRCKOUIOXTB-CYBMUJFWSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688827 175095949 /nfs/dbraw/zinc/09/59/49/175095949.db2.gz PQGVNPLVGDCYMJ-BETUJISGSA-N 1 3 262.422 2.536 10 30 CFEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688827 175095951 /nfs/dbraw/zinc/09/59/51/175095951.db2.gz PQGVNPLVGDCYMJ-BETUJISGSA-N 1 3 262.422 2.536 10 30 CFEEHO CN(Cc1ccc(C#CC[NH3+])cc1F)CC(C)(C)C ZINC000045086738 175304431 /nfs/dbraw/zinc/30/44/31/175304431.db2.gz HYUYTTZVRFXKHQ-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC(C)CC[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609907 519650753 /nfs/dbraw/zinc/65/07/53/519650753.db2.gz MTKFUMGTXZPEGS-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC(C)CC[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609907 519650754 /nfs/dbraw/zinc/65/07/54/519650754.db2.gz MTKFUMGTXZPEGS-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609324 521035129 /nfs/dbraw/zinc/03/51/29/521035129.db2.gz QKZWFRAXHDOJBL-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609324 521035140 /nfs/dbraw/zinc/03/51/40/521035140.db2.gz QKZWFRAXHDOJBL-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCN ZINC000049608274 523268532 /nfs/dbraw/zinc/26/85/32/523268532.db2.gz AJFFZGMKJAAPII-MRXNPFEDSA-N 1 3 260.356 2.510 10 30 CFEEHO CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CCN ZINC000049608274 523268533 /nfs/dbraw/zinc/26/85/33/523268533.db2.gz AJFFZGMKJAAPII-MRXNPFEDSA-N 1 3 260.356 2.510 10 30 CFEEHO C[N@H+](Cc1cccc(C#CCN)c1)C1CCCCC1 ZINC000049608585 523289932 /nfs/dbraw/zinc/28/99/32/523289932.db2.gz IWNXNJBUKGTQOB-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO C[N@@H+](Cc1cccc(C#CCN)c1)C1CCCCC1 ZINC000049608585 523289941 /nfs/dbraw/zinc/28/99/41/523289941.db2.gz IWNXNJBUKGTQOB-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO COc1ccc(C[N@H+](C)C2CCCCC2)cc1C#CCN ZINC000049608582 524001994 /nfs/dbraw/zinc/00/19/94/524001994.db2.gz KYKHAPUVUZTKLB-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1C#CCN ZINC000049608582 524001997 /nfs/dbraw/zinc/00/19/97/524001997.db2.gz KYKHAPUVUZTKLB-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO COc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C#CCN ZINC000049608729 524043562 /nfs/dbraw/zinc/04/35/62/524043562.db2.gz YZCPROQKALEPCP-GASCZTMLSA-N 1 3 286.419 2.768 10 30 CFEEHO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C#CCN ZINC000049608729 524043565 /nfs/dbraw/zinc/04/35/65/524043565.db2.gz YZCPROQKALEPCP-GASCZTMLSA-N 1 3 286.419 2.768 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCN)cc2)[C@@H]1C ZINC000050566683 524232151 /nfs/dbraw/zinc/23/21/51/524232151.db2.gz OHMVOXWTUTWPJV-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2ccc(C#CCN)cc2)[C@@H]1C ZINC000050566683 524232159 /nfs/dbraw/zinc/23/21/59/524232159.db2.gz OHMVOXWTUTWPJV-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#CCN)cc1 ZINC000050566684 525641857 /nfs/dbraw/zinc/64/18/57/525641857.db2.gz OHMVOXWTUTWPJV-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#CCN)cc1 ZINC000050566684 525641859 /nfs/dbraw/zinc/64/18/59/525641859.db2.gz OHMVOXWTUTWPJV-LSDHHAIUSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817883 179346071 /nfs/dbraw/zinc/34/60/71/179346071.db2.gz PAXBTEMLDIGBJH-XJKSGUPXSA-N 1 3 257.381 2.693 10 30 CFEEHO C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817883 179346072 /nfs/dbraw/zinc/34/60/72/179346072.db2.gz PAXBTEMLDIGBJH-XJKSGUPXSA-N 1 3 257.381 2.693 10 30 CFEEHO CCCC[N@H+](Cc1ccc(C#CCN)s1)C1CC1 ZINC000043683846 175092078 /nfs/dbraw/zinc/09/20/78/175092078.db2.gz VVHAWMPUQRFTHY-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCCC[N@@H+](Cc1ccc(C#CCN)s1)C1CC1 ZINC000043683846 175092079 /nfs/dbraw/zinc/09/20/79/175092079.db2.gz VVHAWMPUQRFTHY-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609250 521543517 /nfs/dbraw/zinc/54/35/17/521543517.db2.gz KNRLFILRAHNYQH-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609250 521543523 /nfs/dbraw/zinc/54/35/23/521543523.db2.gz KNRLFILRAHNYQH-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO COc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1C#CCN ZINC000049608731 524043494 /nfs/dbraw/zinc/04/34/94/524043494.db2.gz YZCPROQKALEPCP-HUUCEWRRSA-N 1 3 286.419 2.768 10 30 CFEEHO C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817884 179345907 /nfs/dbraw/zinc/34/59/07/179345907.db2.gz PAXBTEMLDIGBJH-CZUORRHYSA-N 1 3 257.381 2.693 10 30 CFEEHO C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817884 179345910 /nfs/dbraw/zinc/34/59/10/179345910.db2.gz PAXBTEMLDIGBJH-CZUORRHYSA-N 1 3 257.381 2.693 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCN)s1 ZINC000043683614 175091672 /nfs/dbraw/zinc/09/16/72/175091672.db2.gz USRGFTWULDPWCG-CYBMUJFWSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCN)s1 ZINC000043683614 175091674 /nfs/dbraw/zinc/09/16/74/175091674.db2.gz USRGFTWULDPWCG-CYBMUJFWSA-N 1 3 262.422 2.823 10 30 CFEEHO CC(C)C[C@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043684186 175093016 /nfs/dbraw/zinc/09/30/16/175093016.db2.gz SIYZWTAPDMSCSX-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043684186 175093017 /nfs/dbraw/zinc/09/30/17/175093017.db2.gz SIYZWTAPDMSCSX-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#CCN)cs2)C1 ZINC000043688830 175095846 /nfs/dbraw/zinc/09/58/46/175095846.db2.gz PQGVNPLVGDCYMJ-CHWSQXEVSA-N 1 3 262.422 2.536 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2ccccc2C#CCN)C1 ZINC000049609259 523251748 /nfs/dbraw/zinc/25/17/48/523251748.db2.gz HHUOAKTWSAFANO-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2ccccc2C#CCN)C1 ZINC000049609259 523251755 /nfs/dbraw/zinc/25/17/55/523251755.db2.gz HHUOAKTWSAFANO-OAHLLOKOSA-N 1 3 256.393 2.619 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#CCN)cc1 ZINC000049608725 524278338 /nfs/dbraw/zinc/27/83/38/524278338.db2.gz JELDLJKJYWXNHA-HUUCEWRRSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc(C#CCN)cc1 ZINC000049608719 524280123 /nfs/dbraw/zinc/28/01/23/524280123.db2.gz RDNIJWMLAUGHHE-HZPDHXFCSA-N 1 3 286.419 2.639 10 30 CFEEHO NCC#Cc1ccccc1C[NH+]1CCCCCCC1 ZINC000049608782 527153113 /nfs/dbraw/zinc/15/31/13/527153113.db2.gz KPHNIKWWOFPRFI-UHFFFAOYSA-N 1 3 256.393 2.763 10 30 CFEEHO C=CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862892 527572470 /nfs/dbraw/zinc/57/24/70/527572470.db2.gz KVBXTZXGNSLSJJ-GOSISDBHSA-N 1 3 288.435 2.550 10 30 CFEEHO C=CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862892 527572481 /nfs/dbraw/zinc/57/24/81/527572481.db2.gz KVBXTZXGNSLSJJ-GOSISDBHSA-N 1 3 288.435 2.550 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1sccc1C#CCN ZINC000043683618 175091650 /nfs/dbraw/zinc/09/16/50/175091650.db2.gz NOMMGWYGSWNNQM-CQSZACIVSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1sccc1C#CCN ZINC000043683618 175091651 /nfs/dbraw/zinc/09/16/51/175091651.db2.gz NOMMGWYGSWNNQM-CQSZACIVSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683659 175091736 /nfs/dbraw/zinc/09/17/36/175091736.db2.gz QESKOTNCNNEAEL-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683659 175091737 /nfs/dbraw/zinc/09/17/37/175091737.db2.gz QESKOTNCNNEAEL-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO C[C@H]([N@H+](C)Cc1ccc(C#CCN)s1)C(C)(C)C ZINC000043684249 175092928 /nfs/dbraw/zinc/09/29/28/175092928.db2.gz HIXUGLINRQZQFR-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@H]([N@@H+](C)Cc1ccc(C#CCN)s1)C(C)(C)C ZINC000043684249 175092930 /nfs/dbraw/zinc/09/29/30/175092930.db2.gz HIXUGLINRQZQFR-LBPRGKRZSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)CC[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609906 519650455 /nfs/dbraw/zinc/65/04/55/519650455.db2.gz UJIBCECOXOKMBN-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC(C)CC[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609906 519650458 /nfs/dbraw/zinc/65/04/58/519650458.db2.gz UJIBCECOXOKMBN-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CCC1CC[NH+](Cc2ccc(C#CCN)cc2)CC1 ZINC000049609925 519859675 /nfs/dbraw/zinc/85/96/75/519859675.db2.gz OHLSXLHTOIYFAK-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[N@@H+](Cc1ccc(F)c(C#CCN)c1)CC(C)C ZINC000049608852 521313682 /nfs/dbraw/zinc/31/36/82/521313682.db2.gz BIFNPFAEKWYEBS-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC[N@H+](Cc1ccc(F)c(C#CCN)c1)CC(C)C ZINC000049608852 521313688 /nfs/dbraw/zinc/31/36/88/521313688.db2.gz BIFNPFAEKWYEBS-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CCC[NH+](CCC)Cc1ccc(F)cc1C#CCN ZINC000049608521 521649103 /nfs/dbraw/zinc/64/91/03/521649103.db2.gz WGLRRCPYASLLGA-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCN)c1 ZINC000049608277 523108079 /nfs/dbraw/zinc/10/80/79/523108079.db2.gz GPFJIFQTXXARJJ-HNNXBMFYSA-N 1 3 260.356 2.510 10 30 CFEEHO CC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#CCN)c1 ZINC000049608277 523108086 /nfs/dbraw/zinc/10/80/86/523108086.db2.gz GPFJIFQTXXARJJ-HNNXBMFYSA-N 1 3 260.356 2.510 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608909 523178926 /nfs/dbraw/zinc/17/89/26/523178926.db2.gz AVQCWGXWMKDZIH-QGZVFWFLSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608909 523178930 /nfs/dbraw/zinc/17/89/30/523178930.db2.gz AVQCWGXWMKDZIH-QGZVFWFLSA-N 1 3 286.419 2.770 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCN)s2)[C@@H]1C ZINC000050566667 524233031 /nfs/dbraw/zinc/23/30/31/524233031.db2.gz TUQVGDRAWUCQCI-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2ccc(C#CCN)s2)[C@@H]1C ZINC000050566667 524233032 /nfs/dbraw/zinc/23/30/32/524233032.db2.gz TUQVGDRAWUCQCI-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000050566666 525638449 /nfs/dbraw/zinc/63/84/49/525638449.db2.gz URIPLTDCDDVJBH-QWHCGFSZSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#CCN)cs1 ZINC000050566666 525638456 /nfs/dbraw/zinc/63/84/56/525638456.db2.gz URIPLTDCDDVJBH-QWHCGFSZSA-N 1 3 262.422 2.679 10 30 CFEEHO [NH3+]CC#Cc1ccccc1CN1CCc2ccccc2C1 ZINC000049608574 527153453 /nfs/dbraw/zinc/15/34/53/527153453.db2.gz SDOHWRWDWYFKIQ-UHFFFAOYSA-N 1 3 276.383 2.555 10 30 CFEEHO CCCCC[N@H+](C)Cc1sccc1C#CCN ZINC000043683666 175091697 /nfs/dbraw/zinc/09/16/97/175091697.db2.gz VFEAICWGSFNELY-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO CCCCC[N@@H+](C)Cc1sccc1C#CCN ZINC000043683666 175091698 /nfs/dbraw/zinc/09/16/98/175091698.db2.gz VFEAICWGSFNELY-UHFFFAOYSA-N 1 3 250.411 2.680 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1sccc1C#CCN ZINC000043683566 175092125 /nfs/dbraw/zinc/09/21/25/175092125.db2.gz XPMAIDHHPCCLMA-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1sccc1C#CCN ZINC000043683566 175092126 /nfs/dbraw/zinc/09/21/26/175092126.db2.gz XPMAIDHHPCCLMA-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO CC[N@H+](Cc1ccc(C#CCN)s1)C1CCCC1 ZINC000043683691 175092386 /nfs/dbraw/zinc/09/23/86/175092386.db2.gz OZMAHQIDANJKAH-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CC[N@@H+](Cc1ccc(C#CCN)s1)C1CCCC1 ZINC000043683691 175092388 /nfs/dbraw/zinc/09/23/88/175092388.db2.gz OZMAHQIDANJKAH-UHFFFAOYSA-N 1 3 262.422 2.823 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609311 520644813 /nfs/dbraw/zinc/64/48/13/520644813.db2.gz WZIJHNGYQUJPBA-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609311 520644824 /nfs/dbraw/zinc/64/48/24/520644824.db2.gz WZIJHNGYQUJPBA-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609237 519791190 /nfs/dbraw/zinc/79/11/90/519791190.db2.gz ATJBLCCLPNYXSJ-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609237 519791191 /nfs/dbraw/zinc/79/11/91/519791191.db2.gz ATJBLCCLPNYXSJ-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049609272 523092940 /nfs/dbraw/zinc/09/29/40/523092940.db2.gz HXFGPHWTRZJLGB-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049609272 523092944 /nfs/dbraw/zinc/09/29/44/523092944.db2.gz HXFGPHWTRZJLGB-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO C[N@H+](Cc1ccc(C#CCN)cc1F)C1CCCCC1 ZINC000049608584 523204871 /nfs/dbraw/zinc/20/48/71/523204871.db2.gz VOJKEYASIQCBGM-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO C[N@@H+](Cc1ccc(C#CCN)cc1F)C1CCCCC1 ZINC000049608584 523204879 /nfs/dbraw/zinc/20/48/79/523204879.db2.gz VOJKEYASIQCBGM-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CN(Cc1ccccc1)Cc1ccccc1C#CC[NH3+] ZINC000049608523 523348077 /nfs/dbraw/zinc/34/80/77/523348077.db2.gz BASXHWMQACXBGP-UHFFFAOYSA-N 1 3 264.372 2.629 10 30 CFEEHO [NH3+]CC#Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000049608576 527151652 /nfs/dbraw/zinc/15/16/52/527151652.db2.gz BKLYERUKHVNBRE-UHFFFAOYSA-N 1 3 276.383 2.555 10 30 CFEEHO CC[N@@H+](Cc1sccc1C#CCN)CC(C)C ZINC000043683594 175092432 /nfs/dbraw/zinc/09/24/32/175092432.db2.gz WYCUPSPOCYLBFT-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[N@H+](Cc1sccc1C#CCN)CC(C)C ZINC000043683594 175092433 /nfs/dbraw/zinc/09/24/33/175092433.db2.gz WYCUPSPOCYLBFT-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688924 175095409 /nfs/dbraw/zinc/09/54/09/175095409.db2.gz YXMVJFBGXXUQBS-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688924 175095411 /nfs/dbraw/zinc/09/54/11/175095411.db2.gz YXMVJFBGXXUQBS-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCCC[N@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608567 520477844 /nfs/dbraw/zinc/47/78/44/520477844.db2.gz ZOHGPBNKLZEFPU-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCCC[N@@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608567 520477849 /nfs/dbraw/zinc/47/78/49/520477849.db2.gz ZOHGPBNKLZEFPU-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCCC[N@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608561 520479904 /nfs/dbraw/zinc/47/99/04/520479904.db2.gz KGFQHGCFAZZEHF-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CCCC[N@@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608561 520479913 /nfs/dbraw/zinc/47/99/13/520479913.db2.gz KGFQHGCFAZZEHF-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CC[N@H+](Cc1ccc(F)cc1C#CCN)C1CCCC1 ZINC000049609173 521316069 /nfs/dbraw/zinc/31/60/69/521316069.db2.gz BLAITULYXJRLKO-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[N@@H+](Cc1ccc(F)cc1C#CCN)C1CCCC1 ZINC000049609173 521316076 /nfs/dbraw/zinc/31/60/76/521316076.db2.gz BLAITULYXJRLKO-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCN ZINC000049608275 523108291 /nfs/dbraw/zinc/10/82/91/523108291.db2.gz AJFFZGMKJAAPII-INIZCTEOSA-N 1 3 260.356 2.510 10 30 CFEEHO CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CCN ZINC000049608275 523108302 /nfs/dbraw/zinc/10/83/02/523108302.db2.gz AJFFZGMKJAAPII-INIZCTEOSA-N 1 3 260.356 2.510 10 30 CFEEHO C[N@H+](Cc1ccc(F)c(C#CCN)c1)C1CCCCC1 ZINC000049608587 523239436 /nfs/dbraw/zinc/23/94/36/523239436.db2.gz PUNSAAJRAMKQLD-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO C[N@@H+](Cc1ccc(F)c(C#CCN)c1)C1CCCCC1 ZINC000049608587 523239439 /nfs/dbraw/zinc/23/94/39/523239439.db2.gz PUNSAAJRAMKQLD-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CN1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205637 523797976 /nfs/dbraw/zinc/79/79/76/523797976.db2.gz KJVOIQUKGBPRFO-INIZCTEOSA-N 1 3 257.381 2.522 10 30 CFEEHO CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCN)s2)C1 ZINC000043683720 175091745 /nfs/dbraw/zinc/09/17/45/175091745.db2.gz UUEQMVFNEWRCPR-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CCN)s2)C1 ZINC000043683720 175091747 /nfs/dbraw/zinc/09/17/47/175091747.db2.gz UUEQMVFNEWRCPR-CYBMUJFWSA-N 1 3 262.422 2.680 10 30 CFEEHO CC(C)[C@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043683710 175092129 /nfs/dbraw/zinc/09/21/29/175092129.db2.gz YPZIUIWTDPFBSB-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043683710 175092130 /nfs/dbraw/zinc/09/21/30/175092130.db2.gz YPZIUIWTDPFBSB-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#CCN)cs2)C1 ZINC000043688828 175095468 /nfs/dbraw/zinc/09/54/68/175095468.db2.gz PQGVNPLVGDCYMJ-STQMWFEESA-N 1 3 262.422 2.536 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688932 175095897 /nfs/dbraw/zinc/09/58/97/175095897.db2.gz NFYLIPKUKOWAKA-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688932 175095899 /nfs/dbraw/zinc/09/58/99/175095899.db2.gz NFYLIPKUKOWAKA-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000249051729 334325981 /nfs/dbraw/zinc/32/59/81/334325981.db2.gz XPUHTDJEGAMNSF-OWCLPIDISA-N 1 3 263.429 2.779 10 30 CFEEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000249051729 334325982 /nfs/dbraw/zinc/32/59/82/334325982.db2.gz XPUHTDJEGAMNSF-OWCLPIDISA-N 1 3 263.429 2.779 10 30 CFEEHO CC[N@H+](CCOc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049609165 521149258 /nfs/dbraw/zinc/14/92/58/521149258.db2.gz AJCOLGHWYXBFRW-UHFFFAOYSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[N@@H+](CCOc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049609165 521149263 /nfs/dbraw/zinc/14/92/63/521149263.db2.gz AJCOLGHWYXBFRW-UHFFFAOYSA-N 1 3 286.419 2.640 10 30 CFEEHO C[C@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)[C@H]1C ZINC000252203915 574283663 /nfs/dbraw/zinc/28/36/63/574283663.db2.gz URIPLTDCDDVJBH-STQMWFEESA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)[C@H]1C ZINC000252203915 574283665 /nfs/dbraw/zinc/28/36/65/574283665.db2.gz URIPLTDCDDVJBH-STQMWFEESA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1sccc1C#CCN ZINC000043683567 175092247 /nfs/dbraw/zinc/09/22/47/175092247.db2.gz XPMAIDHHPCCLMA-STQMWFEESA-N 1 3 262.422 2.821 10 30 CFEEHO CC[C@H](C)C[N@H+](C)Cc1sccc1C#CCN ZINC000043683662 175092437 /nfs/dbraw/zinc/09/24/37/175092437.db2.gz HRJKJBQZGHNGHH-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@H](C)C[N@@H+](C)Cc1sccc1C#CCN ZINC000043683662 175092438 /nfs/dbraw/zinc/09/24/38/175092438.db2.gz HRJKJBQZGHNGHH-LBPRGKRZSA-N 1 3 250.411 2.536 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C#CCN)cs1 ZINC000043688847 175095195 /nfs/dbraw/zinc/09/51/95/175095195.db2.gz NAHLDWFKIQLVJR-CHWSQXEVSA-N 1 3 262.422 2.821 10 30 CFEEHO CCCCCN(C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609045 520151375 /nfs/dbraw/zinc/15/13/75/520151375.db2.gz XDXRCZSBBWZOKK-UHFFFAOYSA-N 1 3 262.372 2.758 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609251 521542449 /nfs/dbraw/zinc/54/24/49/521542449.db2.gz YQJAMAHZRVEHHU-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609251 521542455 /nfs/dbraw/zinc/54/24/55/521542455.db2.gz YQJAMAHZRVEHHU-UHFFFAOYSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[NH+](CCC)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608517 521648982 /nfs/dbraw/zinc/64/89/82/521648982.db2.gz WFXNQHRTCLZYLD-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#CCN)cc1F ZINC000049608945 522085214 /nfs/dbraw/zinc/08/52/14/522085214.db2.gz GLAQMUDHIBXXIB-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#CCN)cc1F ZINC000049608945 522085223 /nfs/dbraw/zinc/08/52/23/522085223.db2.gz GLAQMUDHIBXXIB-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO C=CCN(CC=C)CCOc1ccccc1C[NH2+]CC ZINC000052376521 518768643 /nfs/dbraw/zinc/76/86/43/518768643.db2.gz SFTBXLGMPGCGOD-UHFFFAOYSA-N 1 3 274.408 2.849 10 30 CFEEHO C=CCN(CC=C)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052376702 518771142 /nfs/dbraw/zinc/77/11/42/518771142.db2.gz OOZCBRGWWKZPTR-CABCVRRESA-N 1 3 266.429 2.596 10 30 CFEEHO CCC1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609931 519859868 /nfs/dbraw/zinc/85/98/68/519859868.db2.gz CKRQRWBQFLHRJI-UHFFFAOYSA-N 1 3 274.383 2.758 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609323 520645734 /nfs/dbraw/zinc/64/57/34/520645734.db2.gz QKZWFRAXHDOJBL-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609323 520645743 /nfs/dbraw/zinc/64/57/43/520645743.db2.gz QKZWFRAXHDOJBL-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609322 521035061 /nfs/dbraw/zinc/03/50/61/521035061.db2.gz ITTXCTWTMJJMHD-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609322 521035069 /nfs/dbraw/zinc/03/50/69/521035069.db2.gz ITTXCTWTMJJMHD-ZDUSSCGKSA-N 1 3 262.372 2.756 10 30 CFEEHO CN(Cc1ccc(F)cc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609959 523249381 /nfs/dbraw/zinc/24/93/81/523249381.db2.gz IBAXPYONQRPYCK-UHFFFAOYSA-N 1 3 282.362 2.768 10 30 CFEEHO COc1ccc(C#CCN)cc1C[N@H+](C)C1CCCCC1 ZINC000049608581 523512406 /nfs/dbraw/zinc/51/24/06/523512406.db2.gz GAPNMXXHJXWMOM-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)C1CCCCC1 ZINC000049608581 523512410 /nfs/dbraw/zinc/51/24/10/523512410.db2.gz GAPNMXXHJXWMOM-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO COc1ccc(C#CCN)cc1C[NH+]1CCCCCCC1 ZINC000049608784 523513014 /nfs/dbraw/zinc/51/30/14/523513014.db2.gz LUOCPAHXTLAWQY-UHFFFAOYSA-N 1 3 286.419 2.772 10 30 CFEEHO C[NH+](C)CC1CCN([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000042393645 174707879 /nfs/dbraw/zinc/70/78/79/174707879.db2.gz PTAGXGBLZOHOBC-HZPDHXFCSA-N 1 3 263.429 2.732 10 30 CFEEHO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683706 175091595 /nfs/dbraw/zinc/09/15/95/175091595.db2.gz FATHNTCGAKFJBO-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000043683706 175091597 /nfs/dbraw/zinc/09/15/97/175091597.db2.gz FATHNTCGAKFJBO-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)C[N@H+](Cc1ccc(C#CCN)s1)C(C)C ZINC000043684191 175093254 /nfs/dbraw/zinc/09/32/54/175093254.db2.gz NIQVUFUNCSAKBJ-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[N@@H+](Cc1ccc(C#CCN)s1)C(C)C ZINC000043684191 175093255 /nfs/dbraw/zinc/09/32/55/175093255.db2.gz NIQVUFUNCSAKBJ-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609313 520647059 /nfs/dbraw/zinc/64/70/59/520647059.db2.gz UEHYLNAVEFMBOH-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609313 520647065 /nfs/dbraw/zinc/64/70/65/520647065.db2.gz UEHYLNAVEFMBOH-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO CC[N@H+](Cc1cc(C#CCN)ccc1OC)C1CCCC1 ZINC000049609168 521286714 /nfs/dbraw/zinc/28/67/14/521286714.db2.gz CUYAQTBUTVVQRC-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[N@@H+](Cc1cc(C#CCN)ccc1OC)C1CCCC1 ZINC000049609168 521286727 /nfs/dbraw/zinc/28/67/27/521286727.db2.gz CUYAQTBUTVVQRC-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2sccc2C#CCN)[C@@H]1C ZINC000050566673 524238629 /nfs/dbraw/zinc/23/86/29/524238629.db2.gz QJKSEKFSNKGHBG-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2sccc2C#CCN)[C@@H]1C ZINC000050566673 524238639 /nfs/dbraw/zinc/23/86/39/524238639.db2.gz QJKSEKFSNKGHBG-CHWSQXEVSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(C#CCN)c1 ZINC000049608740 524278114 /nfs/dbraw/zinc/27/81/14/524278114.db2.gz VEVATIFVIKLYBX-HUUCEWRRSA-N 1 3 256.393 2.760 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1sccc1C#CCN ZINC000050566674 525642351 /nfs/dbraw/zinc/64/23/51/525642351.db2.gz QJKSEKFSNKGHBG-QWHCGFSZSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1sccc1C#CCN ZINC000050566674 525642357 /nfs/dbraw/zinc/64/23/57/525642357.db2.gz QJKSEKFSNKGHBG-QWHCGFSZSA-N 1 3 262.422 2.679 10 30 CFEEHO C[C@H]1CCCCN1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608400 526251675 /nfs/dbraw/zinc/25/16/75/526251675.db2.gz IVHRUJUADLOZEN-ZDUSSCGKSA-N 1 3 260.356 2.510 10 30 CFEEHO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817886 179345793 /nfs/dbraw/zinc/34/57/93/179345793.db2.gz PAXBTEMLDIGBJH-CJNGLKHVSA-N 1 3 257.381 2.693 10 30 CFEEHO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817886 179345795 /nfs/dbraw/zinc/34/57/95/179345795.db2.gz PAXBTEMLDIGBJH-CJNGLKHVSA-N 1 3 257.381 2.693 10 30 CFEEHO CC(C)CC[N@H+](C)Cc1sccc1C#CCN ZINC000043684020 175091633 /nfs/dbraw/zinc/09/16/33/175091633.db2.gz DVORCGYXWQVRTC-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)CC[N@@H+](C)Cc1sccc1C#CCN ZINC000043684020 175091634 /nfs/dbraw/zinc/09/16/34/175091634.db2.gz DVORCGYXWQVRTC-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1sccc1C#CCN ZINC000043683749 175091845 /nfs/dbraw/zinc/09/18/45/175091845.db2.gz AGOLPKGNENTDGQ-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1sccc1C#CCN ZINC000043683749 175091847 /nfs/dbraw/zinc/09/18/47/175091847.db2.gz AGOLPKGNENTDGQ-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[NH+]1CCC(CNCc2cc(C#N)ccc2F)CC1 ZINC000044518713 175190832 /nfs/dbraw/zinc/19/08/32/175190832.db2.gz RSFBTFSLIHRVFK-UHFFFAOYSA-N 1 3 275.371 2.519 10 30 CFEEHO C[N@H+](Cc1sccc1C#CCN)CC(C)(C)C ZINC000045086723 175304017 /nfs/dbraw/zinc/30/40/17/175304017.db2.gz UZLVRYCTGYHAIB-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO C[N@@H+](Cc1sccc1C#CCN)CC(C)(C)C ZINC000045086723 175304018 /nfs/dbraw/zinc/30/40/18/175304018.db2.gz UZLVRYCTGYHAIB-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609314 521036877 /nfs/dbraw/zinc/03/68/77/521036877.db2.gz UEHYLNAVEFMBOH-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609314 521036887 /nfs/dbraw/zinc/03/68/87/521036887.db2.gz UEHYLNAVEFMBOH-AWEZNQCLSA-N 1 3 274.408 2.626 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608939 522084095 /nfs/dbraw/zinc/08/40/95/522084095.db2.gz JJNGIGNAJIHWRE-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608939 522084103 /nfs/dbraw/zinc/08/41/03/522084103.db2.gz JJNGIGNAJIHWRE-CQSZACIVSA-N 1 3 274.408 2.626 10 30 CFEEHO C=C(C)C[N@@H+](CC)CCOc1ccccc1CNC ZINC000052423388 518599460 /nfs/dbraw/zinc/59/94/60/518599460.db2.gz PBJBGWQPLDQBKL-UHFFFAOYSA-N 1 3 262.397 2.683 10 30 CFEEHO C=C(C)C[N@H+](CC)CCOc1ccccc1CNC ZINC000052423388 518599454 /nfs/dbraw/zinc/59/94/54/518599454.db2.gz PBJBGWQPLDQBKL-UHFFFAOYSA-N 1 3 262.397 2.683 10 30 CFEEHO C[C@@H]1CCC[N@H+](Cc2cccc(C#CCN)c2)[C@@H]1C ZINC000050566697 524235012 /nfs/dbraw/zinc/23/50/12/524235012.db2.gz OYLLGGUSAURAPP-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1CCC[N@@H+](Cc2cccc(C#CCN)c2)[C@@H]1C ZINC000050566697 524235025 /nfs/dbraw/zinc/23/50/25/524235025.db2.gz OYLLGGUSAURAPP-HUUCEWRRSA-N 1 3 256.393 2.617 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608732 524362620 /nfs/dbraw/zinc/36/26/20/524362620.db2.gz QKSJYCDRTBTVND-IYBDPMFKSA-N 1 3 286.419 2.639 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608732 524362625 /nfs/dbraw/zinc/36/26/25/524362625.db2.gz QKSJYCDRTBTVND-IYBDPMFKSA-N 1 3 286.419 2.639 10 30 CFEEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(F)c(C#CCN)c2)C1 ZINC000049608651 525211030 /nfs/dbraw/zinc/21/10/30/525211030.db2.gz LAZFABDEXXNRHQ-ZIAGYGMSSA-N 1 3 274.383 2.614 10 30 CFEEHO CC[C@H](C)[N@H+](CC)Cc1sccc1C#CCN ZINC000043683633 175092082 /nfs/dbraw/zinc/09/20/82/175092082.db2.gz CXGAIEGZQDFXIF-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CC[C@H](C)[N@@H+](CC)Cc1sccc1C#CCN ZINC000043683633 175092083 /nfs/dbraw/zinc/09/20/83/175092083.db2.gz CXGAIEGZQDFXIF-LBPRGKRZSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@H+](CCOC)Cc1ccc(C#CCN)s1 ZINC000043684224 175092622 /nfs/dbraw/zinc/09/26/22/175092622.db2.gz YPFGRMMNLXRURL-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#CCN)s1 ZINC000043684224 175092623 /nfs/dbraw/zinc/09/26/23/175092623.db2.gz YPFGRMMNLXRURL-UHFFFAOYSA-N 1 3 294.464 2.695 10 30 CFEEHO CC(C)[N@H+](C)CCCCN[C@H]1CCCC[C@@H]1C#N ZINC000054828573 519617092 /nfs/dbraw/zinc/61/70/92/519617092.db2.gz OXMDHXYLFNCOPY-CABCVRRESA-N 1 3 251.418 2.779 10 30 CFEEHO CC(C)[N@@H+](C)CCCCN[C@H]1CCCC[C@@H]1C#N ZINC000054828573 519617097 /nfs/dbraw/zinc/61/70/97/519617097.db2.gz OXMDHXYLFNCOPY-CABCVRRESA-N 1 3 251.418 2.779 10 30 CFEEHO CCCC[N@H+](Cc1ccc(F)c(C#CCN)c1)C1CC1 ZINC000049609607 520544632 /nfs/dbraw/zinc/54/46/32/520544632.db2.gz NSFMXYMXZRZBEX-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CCCC[N@@H+](Cc1ccc(F)c(C#CCN)c1)C1CC1 ZINC000049609607 520544641 /nfs/dbraw/zinc/54/46/41/520544641.db2.gz NSFMXYMXZRZBEX-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CC[N@@H+](Cc1ccc(F)cc1C#CCN)CC(C)C ZINC000049608851 521314346 /nfs/dbraw/zinc/31/43/46/521314346.db2.gz PKWQDKSNOSWILB-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC[N@H+](Cc1ccc(F)cc1C#CCN)CC(C)C ZINC000049608851 521314355 /nfs/dbraw/zinc/31/43/55/521314355.db2.gz PKWQDKSNOSWILB-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC[N@H+](Cc1ccc(OC)c(C#CCN)c1)C1CCCC1 ZINC000049609169 521322488 /nfs/dbraw/zinc/32/24/88/521322488.db2.gz RAIVCPTVLRIPOG-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)C1CCCC1 ZINC000049609169 521322494 /nfs/dbraw/zinc/32/24/94/521322494.db2.gz RAIVCPTVLRIPOG-UHFFFAOYSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608951 522085883 /nfs/dbraw/zinc/08/58/83/522085883.db2.gz AIUHBDIYURXKES-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608951 522085890 /nfs/dbraw/zinc/08/58/90/522085890.db2.gz AIUHBDIYURXKES-CYBMUJFWSA-N 1 3 262.372 2.756 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1Cc1cccc(C#CCN)c1 ZINC000049608918 523027300 /nfs/dbraw/zinc/02/73/00/523027300.db2.gz VUVNJOSBVJYNQH-KRWDZBQOSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1Cc1cccc(C#CCN)c1 ZINC000049608918 523027305 /nfs/dbraw/zinc/02/73/05/523027305.db2.gz VUVNJOSBVJYNQH-KRWDZBQOSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608910 523027636 /nfs/dbraw/zinc/02/76/36/523027636.db2.gz AVQCWGXWMKDZIH-KRWDZBQOSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@H]1CCCC[N@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608910 523027648 /nfs/dbraw/zinc/02/76/48/523027648.db2.gz AVQCWGXWMKDZIH-KRWDZBQOSA-N 1 3 286.419 2.770 10 30 CFEEHO CC[C@H]1CCC[N@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049609262 523091983 /nfs/dbraw/zinc/09/19/83/523091983.db2.gz MAROTFCLROZCHI-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@H]1CCC[N@@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049609262 523091990 /nfs/dbraw/zinc/09/19/90/523091990.db2.gz MAROTFCLROZCHI-HNNXBMFYSA-N 1 3 256.393 2.619 10 30 CFEEHO C[C@H]1CCC[C@H](C)[NH+]1CCOc1cccc(C#CCN)c1 ZINC000049608733 524191424 /nfs/dbraw/zinc/19/14/24/524191424.db2.gz QKSJYCDRTBTVND-HOTGVXAUSA-N 1 3 286.419 2.639 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1sccc1C#CCN ZINC000043683568 175092154 /nfs/dbraw/zinc/09/21/54/175092154.db2.gz XPMAIDHHPCCLMA-CHWSQXEVSA-N 1 3 262.422 2.821 10 30 CFEEHO CC[N@@H+](Cc1ccc(C#CCN)s1)CC(C)C ZINC000043683593 175092189 /nfs/dbraw/zinc/09/21/89/175092189.db2.gz VLCOEJMPYGMOFG-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[N@H+](Cc1ccc(C#CCN)s1)CC(C)C ZINC000043683593 175092190 /nfs/dbraw/zinc/09/21/90/175092190.db2.gz VLCOEJMPYGMOFG-UHFFFAOYSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[C@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689103 175095589 /nfs/dbraw/zinc/09/55/89/175095589.db2.gz LOEMRCKOUIOXTB-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[C@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043689103 175095591 /nfs/dbraw/zinc/09/55/91/175095591.db2.gz LOEMRCKOUIOXTB-ZDUSSCGKSA-N 1 3 264.438 2.925 10 30 CFEEHO CCC[NH+](CCC)Cc1cc(C#CCN)ccc1OC ZINC000049608516 521648962 /nfs/dbraw/zinc/64/89/62/521648962.db2.gz WYQXDOUBCTYGLK-UHFFFAOYSA-N 1 3 274.408 2.627 10 30 CFEEHO CCC1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049609932 519859644 /nfs/dbraw/zinc/85/96/44/519859644.db2.gz YDXMWIOBQLIOIV-UHFFFAOYSA-N 1 3 274.383 2.758 10 30 CFEEHO CCCC[N@H+](Cc1ccc(C#CCN)cc1)C1CC1 ZINC000049609600 520545208 /nfs/dbraw/zinc/54/52/08/520545208.db2.gz JLZMOSSBBDYRPD-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO CCCC[N@@H+](Cc1ccc(C#CCN)cc1)C1CC1 ZINC000049609600 520545216 /nfs/dbraw/zinc/54/52/16/520545216.db2.gz JLZMOSSBBDYRPD-UHFFFAOYSA-N 1 3 256.393 2.761 10 30 CFEEHO CCC[N@@H+](Cc1ccc(F)cc1C#CCN)CC1CC1 ZINC000049609640 521684631 /nfs/dbraw/zinc/68/46/31/521684631.db2.gz RGHZAYWSKQWIRK-UHFFFAOYSA-N 1 3 274.383 2.758 10 30 CFEEHO CCC[N@H+](Cc1ccc(F)cc1C#CCN)CC1CC1 ZINC000049609640 521684635 /nfs/dbraw/zinc/68/46/35/521684635.db2.gz RGHZAYWSKQWIRK-UHFFFAOYSA-N 1 3 274.383 2.758 10 30 CFEEHO C[N@H+](Cc1ccc(F)cc1C#CCN)C1CCCCC1 ZINC000049608586 523254017 /nfs/dbraw/zinc/25/40/17/523254017.db2.gz PBUUTVICSZTQDI-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO C[N@@H+](Cc1ccc(F)cc1C#CCN)C1CCCCC1 ZINC000049608586 523254023 /nfs/dbraw/zinc/25/40/23/523254023.db2.gz PBUUTVICSZTQDI-UHFFFAOYSA-N 1 3 274.383 2.900 10 30 CFEEHO CN(Cc1cccc(F)c1)Cc1cccc(C#CC[NH3+])c1 ZINC000049608793 523312318 /nfs/dbraw/zinc/31/23/18/523312318.db2.gz BFPYMYHYSQKZNN-UHFFFAOYSA-N 1 3 282.362 2.768 10 30 CFEEHO NCC#Cc1cc(C[NH+]2CCCCCCC2)ccc1F ZINC000049608790 527146922 /nfs/dbraw/zinc/14/69/22/527146922.db2.gz QZQHJOUYYWGZLR-UHFFFAOYSA-N 1 3 274.383 2.902 10 30 CFEEHO CC[C@@H](C)C[N@H+](C)Cc1sccc1C#CCN ZINC000043683661 175092090 /nfs/dbraw/zinc/09/20/90/175092090.db2.gz HRJKJBQZGHNGHH-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC[C@@H](C)C[N@@H+](C)Cc1sccc1C#CCN ZINC000043683661 175092091 /nfs/dbraw/zinc/09/20/91/175092091.db2.gz HRJKJBQZGHNGHH-GFCCVEGCSA-N 1 3 250.411 2.536 10 30 CFEEHO CC(C)C[N@H+](Cc1sccc1C#CCN)C(C)C ZINC000043684192 175092667 /nfs/dbraw/zinc/09/26/67/175092667.db2.gz LPJUMLJBKAROPQ-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO CC(C)C[N@@H+](Cc1sccc1C#CCN)C(C)C ZINC000043684192 175092668 /nfs/dbraw/zinc/09/26/68/175092668.db2.gz LPJUMLJBKAROPQ-UHFFFAOYSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]([N@H+](C)Cc1cc(C#CCN)cs1)C(C)(C)C ZINC000043689127 175096274 /nfs/dbraw/zinc/09/62/74/175096274.db2.gz LMHZLOIESMSSMG-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO C[C@@H]([N@@H+](C)Cc1cc(C#CCN)cs1)C(C)(C)C ZINC000043689127 175096276 /nfs/dbraw/zinc/09/62/76/175096276.db2.gz LMHZLOIESMSSMG-GFCCVEGCSA-N 1 3 264.438 2.925 10 30 CFEEHO C[N@H+](Cc1ccc(F)c(C#CCN)c1)CC(C)(C)C ZINC000045086746 175304536 /nfs/dbraw/zinc/30/45/36/175304536.db2.gz AJXFCRDFGOOHMV-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO C[N@@H+](Cc1ccc(F)c(C#CCN)c1)CC(C)(C)C ZINC000045086746 175304537 /nfs/dbraw/zinc/30/45/37/175304537.db2.gz AJXFCRDFGOOHMV-UHFFFAOYSA-N 1 3 262.372 2.614 10 30 CFEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609233 519791081 /nfs/dbraw/zinc/79/10/81/519791081.db2.gz XCQOWQALSPTRRN-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)cc1F ZINC000049609233 519791082 /nfs/dbraw/zinc/79/10/82/519791082.db2.gz XCQOWQALSPTRRN-CYBMUJFWSA-N 1 3 262.372 2.612 10 30 CFEEHO CCC1CCN(Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049609929 519859852 /nfs/dbraw/zinc/85/98/52/519859852.db2.gz XAXXVCOXLMTFFQ-UHFFFAOYSA-N 1 3 274.383 2.758 10 30 CFEEHO CCC[N@@H+](Cc1ccc(C#CCN)cc1)CC1CC1 ZINC000049609634 521682114 /nfs/dbraw/zinc/68/21/14/521682114.db2.gz ASYSPKYXMYQSRU-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CCC[N@H+](Cc1ccc(C#CCN)cc1)CC1CC1 ZINC000049609634 521682116 /nfs/dbraw/zinc/68/21/16/521682116.db2.gz ASYSPKYXMYQSRU-UHFFFAOYSA-N 1 3 256.393 2.619 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608903 523174861 /nfs/dbraw/zinc/17/48/61/523174861.db2.gz QKDVAHALDSAKJR-QGZVFWFLSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608903 523174865 /nfs/dbraw/zinc/17/48/65/523174865.db2.gz QKDVAHALDSAKJR-QGZVFWFLSA-N 1 3 286.419 2.640 10 30 CFEEHO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CCN ZINC000049608905 523177331 /nfs/dbraw/zinc/17/73/31/523177331.db2.gz VHUKUEZMCSXHEA-QGZVFWFLSA-N 1 3 256.393 2.761 10 30 CFEEHO CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#CCN ZINC000049608905 523177339 /nfs/dbraw/zinc/17/73/39/523177339.db2.gz VHUKUEZMCSXHEA-QGZVFWFLSA-N 1 3 256.393 2.761 10 30 CFEEHO CN(Cc1ccccc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608528 523347296 /nfs/dbraw/zinc/34/72/96/523347296.db2.gz RNPFYXKPJZNQCB-UHFFFAOYSA-N 1 3 282.362 2.768 10 30 CFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#CCN)s1 ZINC000043683565 175091726 /nfs/dbraw/zinc/09/17/26/175091726.db2.gz LFQMBPIGWAXXKI-CHWSQXEVSA-N 1 3 262.422 2.821 10 30 CFEEHO CCC(CC)[N@H+](C)Cc1sccc1C#CCN ZINC000043683718 175091903 /nfs/dbraw/zinc/09/19/03/175091903.db2.gz WEIIQMNGXGLGJP-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CCC(CC)[N@@H+](C)Cc1sccc1C#CCN ZINC000043683718 175091904 /nfs/dbraw/zinc/09/19/04/175091904.db2.gz WEIIQMNGXGLGJP-UHFFFAOYSA-N 1 3 250.411 2.679 10 30 CFEEHO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688922 175095239 /nfs/dbraw/zinc/09/52/39/175095239.db2.gz RGBVVUYKSBTPOO-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO CC(C)[C@H](C)[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000043688922 175095242 /nfs/dbraw/zinc/09/52/42/175095242.db2.gz RGBVVUYKSBTPOO-LBPRGKRZSA-N 1 3 250.411 2.535 10 30 CFEEHO CCC1CC[NH+](Cc2cc(C#CCN)cs2)CC1 ZINC000043689028 175095245 /nfs/dbraw/zinc/09/52/45/175095245.db2.gz DROOFBKDKAUIOC-UHFFFAOYSA-N 1 3 262.422 2.680 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043688843 175095542 /nfs/dbraw/zinc/09/55/42/175095542.db2.gz NAHLDWFKIQLVJR-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043688843 175095543 /nfs/dbraw/zinc/09/55/43/175095543.db2.gz NAHLDWFKIQLVJR-BETUJISGSA-N 1 3 262.422 2.821 10 30 CFEEHO