smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(C[NH2+][C@H](CC#N)c2ccccc2)CC1 ZINC000055018570 523765431 /nfs/dbraw/zinc/76/54/31/523765431.db2.gz BKXAGDBNDHQFPG-MRXNPFEDSA-N 2 1 257.381 2.573 10 30 CFEEMP C[C@H]1CCC[C@@](C[NH2+]CCCCC#N)([NH+](C)C)C1 ZINC000049578495 524169879 /nfs/dbraw/zinc/16/98/79/524169879.db2.gz KNRQDOPZLZXXSS-LSDHHAIUSA-N 2 1 251.418 2.780 10 30 CFEEMP C=CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862889 527573360 /nfs/dbraw/zinc/57/33/60/527573360.db2.gz KVBXTZXGNSLSJJ-SFHVURJKSA-N 2 1 288.435 2.550 10 30 CFEEMP CC(C)[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086841019 179353881 /nfs/dbraw/zinc/35/38/81/179353881.db2.gz AMCQWJQMLACWHD-QGZVFWFLSA-N 2 1 271.408 2.911 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328643521 348441738 /nfs/dbraw/zinc/44/17/38/348441738.db2.gz RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328643521 348441742 /nfs/dbraw/zinc/44/17/42/348441742.db2.gz RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 2 1 298.365 2.588 10 30 CFEEMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040592479 174347719 /nfs/dbraw/zinc/34/77/19/174347719.db2.gz YGJNVOFPSKMKFQ-DZGCQCFKSA-N 2 1 257.381 2.551 10 30 CFEEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040592479 174347720 /nfs/dbraw/zinc/34/77/20/174347720.db2.gz YGJNVOFPSKMKFQ-DZGCQCFKSA-N 2 1 257.381 2.551 10 30 CFEEMP CC[C@H](C)C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688900 175095529 /nfs/dbraw/zinc/09/55/29/175095529.db2.gz PMIQUXYUNNIRTH-LBPRGKRZSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C(C)C ZINC000043689106 175095607 /nfs/dbraw/zinc/09/56/07/175095607.db2.gz FNKDHEFZYWIWOD-UHFFFAOYSA-N 2 1 264.438 2.925 10 30 CFEEMP C[N@H+](Cc1ccsc1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688908 175096097 /nfs/dbraw/zinc/09/60/97/175096097.db2.gz GYCVJCYPFGHETE-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000044573116 175210310 /nfs/dbraw/zinc/21/03/10/175210310.db2.gz LDJNZEUATATQQU-UHFFFAOYSA-N 2 1 259.397 2.768 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CCCC1 ZINC000049608929 175491778 /nfs/dbraw/zinc/49/17/78/175491778.db2.gz PBYDHXXSVPKTBU-UHFFFAOYSA-N 2 1 260.356 2.510 10 30 CFEEMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388423286 382607085 /nfs/dbraw/zinc/60/70/85/382607085.db2.gz QVAMHKJEUKTQLK-XJKCOSOUSA-N 2 1 257.381 2.536 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684018 175091909 /nfs/dbraw/zinc/09/19/09/175091909.db2.gz WQYMOCNHHXGODC-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683743 175092467 /nfs/dbraw/zinc/09/24/67/175092467.db2.gz WVPIMPMEVGOTJC-GFCCVEGCSA-N 2 1 250.411 2.679 10 30 CFEEMP C[C@@H]([N@@H+](C)Cc1ccc(C#CC[NH3+])s1)C(C)(C)C ZINC000043684250 175092599 /nfs/dbraw/zinc/09/25/99/175092599.db2.gz HIXUGLINRQZQFR-GFCCVEGCSA-N 2 1 264.438 2.925 10 30 CFEEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684183 175093115 /nfs/dbraw/zinc/09/31/15/175093115.db2.gz IIXJWWXUULKEKK-CYBMUJFWSA-N 2 1 264.438 2.925 10 30 CFEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CCCC1 ZINC000043688915 175095374 /nfs/dbraw/zinc/09/53/74/175095374.db2.gz CVIFFVZLXNSUOW-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688926 175095942 /nfs/dbraw/zinc/09/59/42/175095942.db2.gz GUKMLBNQCUUUQJ-ZDUSSCGKSA-N 2 1 262.422 2.680 10 30 CFEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)CC(C)(C)C ZINC000045086711 175304082 /nfs/dbraw/zinc/30/40/82/175304082.db2.gz FHZHVCRFDZVAIY-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])CC(C)(C)C ZINC000045086744 175304386 /nfs/dbraw/zinc/30/43/86/175304386.db2.gz HVMILYFTTKFHJO-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000069402140 526639902 /nfs/dbraw/zinc/63/99/02/526639902.db2.gz RXALYEKIOMFJDE-KRWDZBQOSA-N 2 1 287.382 2.661 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180130497 189238921 /nfs/dbraw/zinc/23/89/21/189238921.db2.gz ANMXEPYOYJONME-CYBMUJFWSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000180130497 189238922 /nfs/dbraw/zinc/23/89/22/189238922.db2.gz ANMXEPYOYJONME-CYBMUJFWSA-N 2 1 286.404 2.789 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688931 175095307 /nfs/dbraw/zinc/09/53/07/175095307.db2.gz NFYLIPKUKOWAKA-GFCCVEGCSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1ccc(C[N@@H+](C)Cc2cc(C#CC[NH3+])cs2)o1 ZINC000043688909 175095775 /nfs/dbraw/zinc/09/57/75/175095775.db2.gz ULTGQTUOXPDGRJ-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2cc(C#CC[NH3+])cs2)o1 ZINC000043688909 175095776 /nfs/dbraw/zinc/09/57/76/175095776.db2.gz ULTGQTUOXPDGRJ-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP CCCCC[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688902 175096089 /nfs/dbraw/zinc/09/60/89/175096089.db2.gz QDDKQLSVWGDLLQ-UHFFFAOYSA-N 2 1 250.411 2.680 10 30 CFEEMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](CC#N)c2ccccc2)CC1 ZINC000104140810 185908514 /nfs/dbraw/zinc/90/85/14/185908514.db2.gz LKSSRZGZKYPDEA-CJNGLKHVSA-N 2 1 257.381 2.701 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000180132132 380623684 /nfs/dbraw/zinc/62/36/84/380623684.db2.gz AFVLVPSFEWANLI-CQSZACIVSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000180132132 380623690 /nfs/dbraw/zinc/62/36/90/380623690.db2.gz AFVLVPSFEWANLI-CQSZACIVSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)c(C)n1 ZINC000219877209 393761209 /nfs/dbraw/zinc/76/12/09/393761209.db2.gz UZHNBQCOFLPTOJ-HOCLYGCPSA-N 2 1 270.380 2.609 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043683724 175091850 /nfs/dbraw/zinc/09/18/50/175091850.db2.gz ZUHTZDCBXXLPOQ-CYBMUJFWSA-N 2 1 262.422 2.680 10 30 CFEEMP CCCC[N@@H+](Cc1sccc1C#CC[NH3+])C1CC1 ZINC000043683848 175092116 /nfs/dbraw/zinc/09/21/16/175092116.db2.gz QYXILPZPOAVROO-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684185 175092754 /nfs/dbraw/zinc/09/27/54/175092754.db2.gz SIYZWTAPDMSCSX-CYBMUJFWSA-N 2 1 264.438 2.925 10 30 CFEEMP CC(C)C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C1CC1 ZINC000043684181 175093321 /nfs/dbraw/zinc/09/33/21/175093321.db2.gz QEFSUSNYDFPVDM-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP C[C@H]([N@@H+](C)Cc1cc(C#CC[NH3+])cs1)C(C)(C)C ZINC000043689126 175096166 /nfs/dbraw/zinc/09/61/66/175096166.db2.gz LMHZLOIESMSSMG-LBPRGKRZSA-N 2 1 264.438 2.925 10 30 CFEEMP C[NH2+]CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000069402200 521984905 /nfs/dbraw/zinc/98/49/05/521984905.db2.gz KVTHIOZGGDDWCB-UHFFFAOYSA-N 2 1 275.371 2.519 10 30 CFEEMP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646603 348442018 /nfs/dbraw/zinc/44/20/18/348442018.db2.gz STAOSWVQYHYCFE-CQSZACIVSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646603 348442021 /nfs/dbraw/zinc/44/20/21/348442021.db2.gz STAOSWVQYHYCFE-CQSZACIVSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328621149 382556679 /nfs/dbraw/zinc/55/66/79/382556679.db2.gz AIHPRDFCRYBVTM-CYBMUJFWSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328621149 382556685 /nfs/dbraw/zinc/55/66/85/382556685.db2.gz AIHPRDFCRYBVTM-CYBMUJFWSA-N 2 1 298.365 2.588 10 30 CFEEMP CCCCC[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683665 175092038 /nfs/dbraw/zinc/09/20/38/175092038.db2.gz HWKPVHHVYXFRBG-UHFFFAOYSA-N 2 1 250.411 2.680 10 30 CFEEMP CC[C@@H](C)C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688899 175095602 /nfs/dbraw/zinc/09/56/02/175095602.db2.gz PMIQUXYUNNIRTH-GFCCVEGCSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249051724 334326020 /nfs/dbraw/zinc/32/60/20/334326020.db2.gz XPUHTDJEGAMNSF-BZUAXINKSA-N 2 1 263.429 2.779 10 30 CFEEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249051724 334326022 /nfs/dbraw/zinc/32/60/22/334326022.db2.gz XPUHTDJEGAMNSF-BZUAXINKSA-N 2 1 263.429 2.779 10 30 CFEEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205635 523793927 /nfs/dbraw/zinc/79/39/27/523793927.db2.gz KJVOIQUKGBPRFO-MRXNPFEDSA-N 2 1 257.381 2.522 10 30 CFEEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205635 523793933 /nfs/dbraw/zinc/79/39/33/523793933.db2.gz KJVOIQUKGBPRFO-MRXNPFEDSA-N 2 1 257.381 2.522 10 30 CFEEMP C[C@@H]1CCC[C@@](C[NH2+]CCCCC#N)([NH+](C)C)C1 ZINC000049578494 524339139 /nfs/dbraw/zinc/33/91/39/524339139.db2.gz KNRQDOPZLZXXSS-HUUCEWRRSA-N 2 1 251.418 2.780 10 30 CFEEMP CCCCCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000172655799 623298244 /nfs/dbraw/zinc/29/82/44/623298244.db2.gz QUXKVQZKZFZPMP-MRXNPFEDSA-N 2 1 284.488 2.981 10 30 CFEEMP C#C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368593332 381077024 /nfs/dbraw/zinc/07/70/24/381077024.db2.gz ONQZSWULVIGUDB-MIGBEJBISA-N 2 1 268.404 2.793 10 30 CFEEMP C#C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368593332 381077028 /nfs/dbraw/zinc/07/70/28/381077028.db2.gz ONQZSWULVIGUDB-MIGBEJBISA-N 2 1 268.404 2.793 10 30 CFEEMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000371371186 381602334 /nfs/dbraw/zinc/60/23/34/381602334.db2.gz ASYMMQCGLYDMIG-AWEZNQCLSA-N 2 1 296.374 2.789 10 30 CFEEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040621337 174354957 /nfs/dbraw/zinc/35/49/57/174354957.db2.gz IYHZMFSKHXFPAS-HOCLYGCPSA-N 2 1 271.408 2.939 10 30 CFEEMP CCC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C(C)C ZINC000043683635 175091835 /nfs/dbraw/zinc/09/18/35/175091835.db2.gz FQLYPDTZEZFADP-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#CC[NH3+])s1 ZINC000043683626 175091856 /nfs/dbraw/zinc/09/18/56/175091856.db2.gz LOABUSKRKBOMGZ-GFCCVEGCSA-N 2 1 250.411 2.679 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683745 175092143 /nfs/dbraw/zinc/09/21/43/175092143.db2.gz WVPIMPMEVGOTJC-LBPRGKRZSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1ccc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])s2)o1 ZINC000043683679 175092168 /nfs/dbraw/zinc/09/21/68/175092168.db2.gz SZJBEBUWBFAGGQ-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2ccc(C#CC[NH3+])s2)o1 ZINC000043683679 175092169 /nfs/dbraw/zinc/09/21/69/175092169.db2.gz SZJBEBUWBFAGGQ-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683563 175092293 /nfs/dbraw/zinc/09/22/93/175092293.db2.gz LFQMBPIGWAXXKI-BETUJISGSA-N 2 1 262.422 2.821 10 30 CFEEMP CCCC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CC1 ZINC000043688966 175096050 /nfs/dbraw/zinc/09/60/50/175096050.db2.gz YGYTWYPNUIRFHP-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608916 175491602 /nfs/dbraw/zinc/49/16/02/175491602.db2.gz SIYKWXJZCBCPON-INIZCTEOSA-N 2 1 274.383 2.900 10 30 CFEEMP C[NH+]1CCC(C[NH2+][C@@H](CC#N)c2ccccc2)CC1 ZINC000055018566 523765676 /nfs/dbraw/zinc/76/56/76/523765676.db2.gz BKXAGDBNDHQFPG-INIZCTEOSA-N 2 1 257.381 2.573 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)[C@@H]1C ZINC000050566665 618136061 /nfs/dbraw/zinc/13/60/61/618136061.db2.gz URIPLTDCDDVJBH-CHWSQXEVSA-N 2 1 262.422 2.679 10 30 CFEEMP CCCCC/C(=[NH+]/OCC[NH3+])c1ccc(C)c(N)c1 ZINC000004215179 346209427 /nfs/dbraw/zinc/20/94/27/346209427.db2.gz ZIWQJHATUBOOFD-SDXDJHTJSA-N 2 1 263.385 2.837 10 30 in-man CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677876 376882853 /nfs/dbraw/zinc/88/28/53/376882853.db2.gz WMXXITXEZUUEBQ-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677876 376882862 /nfs/dbraw/zinc/88/28/62/376882862.db2.gz WMXXITXEZUUEBQ-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689024 175095203 /nfs/dbraw/zinc/09/52/03/175095203.db2.gz ZGUWBPTYVFKTDL-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193045302 277394378 /nfs/dbraw/zinc/39/43/78/277394378.db2.gz XPUHTDJEGAMNSF-ARFHVFGLSA-N 2 1 263.429 2.779 10 30 CFEEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193045302 277394380 /nfs/dbraw/zinc/39/43/80/277394380.db2.gz XPUHTDJEGAMNSF-ARFHVFGLSA-N 2 1 263.429 2.779 10 30 CFEEMP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205639 523792309 /nfs/dbraw/zinc/79/23/09/523792309.db2.gz RZCUNCJYRSYOCS-MRXNPFEDSA-N 2 1 257.381 2.522 10 30 CFEEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205639 523792315 /nfs/dbraw/zinc/79/23/15/523792315.db2.gz RZCUNCJYRSYOCS-MRXNPFEDSA-N 2 1 257.381 2.522 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000178288749 348119518 /nfs/dbraw/zinc/11/95/18/348119518.db2.gz WQOSBYQLWRFSRH-HNNXBMFYSA-N 2 1 274.412 2.986 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000178288749 348119521 /nfs/dbraw/zinc/11/95/21/348119521.db2.gz WQOSBYQLWRFSRH-HNNXBMFYSA-N 2 1 274.412 2.986 10 30 CFEEMP C[NH+](C)CCC[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738281 372046848 /nfs/dbraw/zinc/04/68/48/372046848.db2.gz AKBLTSXPRUVMOS-QGZVFWFLSA-N 2 1 271.408 2.689 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683616 175091550 /nfs/dbraw/zinc/09/15/50/175091550.db2.gz USRGFTWULDPWCG-ZDUSSCGKSA-N 2 1 262.422 2.823 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683716 175092224 /nfs/dbraw/zinc/09/22/24/175092224.db2.gz FHRMLZPGBFGNQZ-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609253 521543391 /nfs/dbraw/zinc/54/33/91/521543391.db2.gz UYXWDBSLAVGLMN-UHFFFAOYSA-N 2 1 262.372 2.756 10 30 CFEEMP CCC[N@@H+](Cc1cc(C#CC[NH3+])ccc1OC)C(C)C ZINC000049608956 521681301 /nfs/dbraw/zinc/68/13/01/521681301.db2.gz XEKOSQVXSGNYMQ-UHFFFAOYSA-N 2 1 274.408 2.626 10 30 CFEEMP C[N@@H+](CCC[NH2+]CCCCC#N)C1CCCCC1 ZINC000049578446 522772825 /nfs/dbraw/zinc/77/28/25/522772825.db2.gz YLCITAWBMSBEKW-UHFFFAOYSA-N 2 1 251.418 2.924 10 30 CFEEMP C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608527 523348383 /nfs/dbraw/zinc/34/83/83/523348383.db2.gz SYQQBSUKVHVOAI-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP CC[C@H](C)[N@@H+](CC)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608942 523934942 /nfs/dbraw/zinc/93/49/42/523934942.db2.gz LMYVHVJLKTWUDF-AWEZNQCLSA-N 2 1 274.408 2.626 10 30 CFEEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608399 524115913 /nfs/dbraw/zinc/11/59/13/524115913.db2.gz IVHRUJUADLOZEN-CYBMUJFWSA-N 2 1 260.356 2.510 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049608720 524362845 /nfs/dbraw/zinc/36/28/45/524362845.db2.gz NBYDDQLIDZOEKG-GASCZTMLSA-N 2 1 256.393 2.760 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2cccc(C#CC[NH3+])c2)o1 ZINC000049609112 524394160 /nfs/dbraw/zinc/39/41/60/524394160.db2.gz CKKCVJCHVVEWDV-UHFFFAOYSA-N 2 1 268.360 2.530 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000178288765 348119508 /nfs/dbraw/zinc/11/95/08/348119508.db2.gz WQOSBYQLWRFSRH-OAHLLOKOSA-N 2 1 274.412 2.986 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000178288765 348119511 /nfs/dbraw/zinc/11/95/11/348119511.db2.gz WQOSBYQLWRFSRH-OAHLLOKOSA-N 2 1 274.412 2.986 10 30 CFEEMP Cc1ccccc1C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683948 175091951 /nfs/dbraw/zinc/09/19/51/175091951.db2.gz SCGRWVXBSGGDQK-UHFFFAOYSA-N 2 1 284.428 2.999 10 30 CFEEMP CC(C)[N@H+](Cc1sccc1C#CC[NH3+])CC1CC1 ZINC000043684194 175092914 /nfs/dbraw/zinc/09/29/14/175092914.db2.gz GTEZBQWGVRUPRZ-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP C[C@@H]([N@@H+](C)Cc1sccc1C#CC[NH3+])C(C)(C)C ZINC000043684252 175092986 /nfs/dbraw/zinc/09/29/86/175092986.db2.gz TVJOHDRBUORDHK-GFCCVEGCSA-N 2 1 264.438 2.925 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688921 175096026 /nfs/dbraw/zinc/09/60/26/175096026.db2.gz RGBVVUYKSBTPOO-GFCCVEGCSA-N 2 1 250.411 2.535 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608949 522085651 /nfs/dbraw/zinc/08/56/51/522085651.db2.gz AOIPJZJTLDONEQ-CYBMUJFWSA-N 2 1 262.372 2.756 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049609260 523090974 /nfs/dbraw/zinc/09/09/74/523090974.db2.gz HHUOAKTWSAFANO-HNNXBMFYSA-N 2 1 256.393 2.619 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CCCCC1 ZINC000049608579 523205219 /nfs/dbraw/zinc/20/52/19/523205219.db2.gz VURBKEGCJHDCHF-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609261 523253376 /nfs/dbraw/zinc/25/33/76/523253376.db2.gz MAROTFCLROZCHI-OAHLLOKOSA-N 2 1 256.393 2.619 10 30 CFEEMP CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608276 523268847 /nfs/dbraw/zinc/26/88/47/523268847.db2.gz GPFJIFQTXXARJJ-OAHLLOKOSA-N 2 1 260.356 2.510 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609091 523446571 /nfs/dbraw/zinc/44/65/71/523446571.db2.gz PPFXQLBLFYYMHO-UHFFFAOYSA-N 2 1 270.401 2.690 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609917 526825774 /nfs/dbraw/zinc/82/57/74/526825774.db2.gz KYIWYLBGCGOLCT-UHFFFAOYSA-N 2 1 268.360 2.530 10 30 CFEEMP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086841028 179353314 /nfs/dbraw/zinc/35/33/14/179353314.db2.gz YLVFTLHNSOPUPN-KRWDZBQOSA-N 2 1 271.408 2.912 10 30 CFEEMP C(C#CC[N@@H+]1CCc2ccccc2C1)#CC[NH+]1CCCCC1 ZINC000584606459 348688184 /nfs/dbraw/zinc/68/81/84/348688184.db2.gz VGBWCZVVCMKFEM-UHFFFAOYSA-N 2 1 292.426 2.537 10 30 CFEEMP C(C#CC[N@H+]1CCc2ccccc2C1)#CC[NH+]1CCCCC1 ZINC000584606459 348688186 /nfs/dbraw/zinc/68/81/86/348688186.db2.gz VGBWCZVVCMKFEM-UHFFFAOYSA-N 2 1 292.426 2.537 10 30 CFEEMP CC[N@@H+](Cc1sccc1C#CC[NH3+])C1CCCC1 ZINC000043683692 175091895 /nfs/dbraw/zinc/09/18/95/175091895.db2.gz LXHSMSWWZVJNSO-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP [NH3+]CC#Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)s1 ZINC000043684247 175092880 /nfs/dbraw/zinc/09/28/80/175092880.db2.gz IWEFRXJVMOUAGH-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP [NH3+]CC#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)s1 ZINC000043684247 175092883 /nfs/dbraw/zinc/09/28/83/175092883.db2.gz IWEFRXJVMOUAGH-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP C=CCCCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000193336829 333248404 /nfs/dbraw/zinc/24/84/04/333248404.db2.gz SPWBESRLCFUYLD-MRXNPFEDSA-N 2 1 282.472 2.757 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609255 521542369 /nfs/dbraw/zinc/54/23/69/521542369.db2.gz IIDYVUQHSQJMBA-UHFFFAOYSA-N 2 1 262.372 2.756 10 30 CFEEMP CC(C)c1[nH+]ccn1Cc1ccc(C#CC[NH3+])cc1F ZINC000049610135 519880089 /nfs/dbraw/zinc/88/00/89/519880089.db2.gz LPXDIJMFLMULJW-UHFFFAOYSA-N 2 1 271.339 2.504 10 30 CFEEMP CCCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CC1 ZINC000049609604 520544280 /nfs/dbraw/zinc/54/42/80/520544280.db2.gz YVFXHQUKBMMFMN-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CCCC1 ZINC000049609174 521312740 /nfs/dbraw/zinc/31/27/40/521312740.db2.gz SGUSYFLEBSCNPO-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049608906 523027173 /nfs/dbraw/zinc/02/71/73/523027173.db2.gz VHUKUEZMCSXHEA-KRWDZBQOSA-N 2 1 256.393 2.761 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1cccc(F)c1 ZINC000049608792 523203326 /nfs/dbraw/zinc/20/33/26/523203326.db2.gz INMBVDSSXSGKRN-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1C#CC[NH3+] ZINC000049608791 523311774 /nfs/dbraw/zinc/31/17/74/523311774.db2.gz MCONZYWQTNJISA-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@H+](Cc1cccs1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609095 523447045 /nfs/dbraw/zinc/44/70/45/523447045.db2.gz MYQOSYPGDNAQSV-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609095 523447053 /nfs/dbraw/zinc/44/70/53/523447053.db2.gz MYQOSYPGDNAQSV-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609096 523448169 /nfs/dbraw/zinc/44/81/69/523448169.db2.gz CHOFDEJQTSVCJQ-UHFFFAOYSA-N 2 1 270.401 2.690 10 30 CFEEMP Cc1cccc(C[N@H+](C)Cc2ccccc2C#CC[NH3+])c1 ZINC000049609961 524377180 /nfs/dbraw/zinc/37/71/80/524377180.db2.gz QYSBUXSRPQVYIA-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608404 526251642 /nfs/dbraw/zinc/25/16/42/526251642.db2.gz KZUJRQPBIJZWRP-ZDUSSCGKSA-N 2 1 260.356 2.510 10 30 CFEEMP CC[N@@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747442 174392798 /nfs/dbraw/zinc/39/27/98/174392798.db2.gz ZKKNHGKGVWBTMZ-SJPCQFCGSA-N 2 1 269.392 2.663 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043683722 175091957 /nfs/dbraw/zinc/09/19/57/175091957.db2.gz UUEQMVFNEWRCPR-ZDUSSCGKSA-N 2 1 262.422 2.680 10 30 CFEEMP CCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CC1 ZINC000049608969 521681636 /nfs/dbraw/zinc/68/16/36/521681636.db2.gz JTLMSIJPURTZOG-UHFFFAOYSA-N 2 1 260.356 2.510 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609239 519791185 /nfs/dbraw/zinc/79/11/85/519791185.db2.gz WTOUNQPPPBUGEW-CYBMUJFWSA-N 2 1 262.372 2.612 10 30 CFEEMP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609240 519811907 /nfs/dbraw/zinc/81/19/07/519811907.db2.gz WTOUNQPPPBUGEW-ZDUSSCGKSA-N 2 1 262.372 2.612 10 30 CFEEMP CC[N@@H+](Cc1ccccc1C#CC[NH3+])C1CCCC1 ZINC000049609166 521375775 /nfs/dbraw/zinc/37/57/75/521375775.db2.gz GOVCQGDCTUTBEV-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP CC[N@H+](Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609861 521398143 /nfs/dbraw/zinc/39/81/43/521398143.db2.gz LYDCAPBLMVWSHS-UHFFFAOYSA-N 2 1 286.350 2.751 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609861 521398151 /nfs/dbraw/zinc/39/81/51/521398151.db2.gz LYDCAPBLMVWSHS-UHFFFAOYSA-N 2 1 286.350 2.751 10 30 CFEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])C1CCCCC1 ZINC000049608578 523357590 /nfs/dbraw/zinc/35/75/90/523357590.db2.gz QXMAODHUIXKGRG-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C#CC[NH3+])[C@@H]1C ZINC000050566681 524235606 /nfs/dbraw/zinc/23/56/06/524235606.db2.gz YPJFSMDEKGGTRP-HUUCEWRRSA-N 2 1 256.393 2.617 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)[C@@H]1C ZINC000050566701 524236679 /nfs/dbraw/zinc/23/66/79/524236679.db2.gz IRGZYZREDZBNRR-ZIAGYGMSSA-N 2 1 274.383 2.756 10 30 CFEEMP [NH3+]CC#Cc1ccsc1C[NH+]1Cc2ccccc2C1 ZINC000050911912 527154773 /nfs/dbraw/zinc/15/47/73/527154773.db2.gz NQEKFJXIDQSBJN-UHFFFAOYSA-N 2 1 268.385 2.574 10 30 CFEEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCCC#N)C2)[nH+]1 ZINC000171037746 379216248 /nfs/dbraw/zinc/21/62/48/379216248.db2.gz DQSNVUXVGQKRMW-OAHLLOKOSA-N 2 1 272.396 2.818 10 30 CFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCCC#N)C2)[nH+]1 ZINC000171037746 379216253 /nfs/dbraw/zinc/21/62/53/379216253.db2.gz DQSNVUXVGQKRMW-OAHLLOKOSA-N 2 1 272.396 2.818 10 30 CFEEMP C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328621150 382556947 /nfs/dbraw/zinc/55/69/47/382556947.db2.gz AIHPRDFCRYBVTM-ZDUSSCGKSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328621150 382556953 /nfs/dbraw/zinc/55/69/53/382556953.db2.gz AIHPRDFCRYBVTM-ZDUSSCGKSA-N 2 1 298.365 2.588 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683620 175091573 /nfs/dbraw/zinc/09/15/73/175091573.db2.gz NOMMGWYGSWNNQM-AWEZNQCLSA-N 2 1 262.422 2.823 10 30 CFEEMP Cc1ccc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])s2)cc1 ZINC000043683581 175091880 /nfs/dbraw/zinc/09/18/80/175091880.db2.gz KTCNEZUBQYUNBU-UHFFFAOYSA-N 2 1 284.428 2.999 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683994 175091997 /nfs/dbraw/zinc/09/19/97/175091997.db2.gz WGUGTXSGHQYBRL-UHFFFAOYSA-N 2 1 274.389 2.673 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683708 175092242 /nfs/dbraw/zinc/09/22/42/175092242.db2.gz YPZIUIWTDPFBSB-GFCCVEGCSA-N 2 1 250.411 2.535 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688925 175095224 /nfs/dbraw/zinc/09/52/24/175095224.db2.gz GUKMLBNQCUUUQJ-CYBMUJFWSA-N 2 1 262.422 2.680 10 30 CFEEMP Cc1ccccc1C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689006 175096033 /nfs/dbraw/zinc/09/60/33/175096033.db2.gz GXGKJDWAWPEKEY-UHFFFAOYSA-N 2 1 284.428 2.999 10 30 CFEEMP CCCCC[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609043 520150847 /nfs/dbraw/zinc/15/08/47/520150847.db2.gz CVKJVCGDEBIEKT-UHFFFAOYSA-N 2 1 274.408 2.627 10 30 CFEEMP CCC(C)(C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000069443122 521303904 /nfs/dbraw/zinc/30/39/04/521303904.db2.gz LMMPFZVYNQQBQE-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609029 521971230 /nfs/dbraw/zinc/97/12/30/521971230.db2.gz PVYOHEMCKDVTEL-CYBMUJFWSA-N 2 1 262.372 2.614 10 30 CFEEMP C=C(C)C[N@@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052423404 518600629 /nfs/dbraw/zinc/60/06/29/518600629.db2.gz HSIWFPGSWTTZMG-UHFFFAOYSA-N 2 1 262.397 2.683 10 30 CFEEMP CC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CCCC1 ZINC000049609171 521298558 /nfs/dbraw/zinc/29/85/58/521298558.db2.gz BMLMESXKXPRQAF-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CCC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C(C)C ZINC000049608957 521684225 /nfs/dbraw/zinc/68/42/25/521684225.db2.gz XYZBMERIFBRUCZ-UHFFFAOYSA-N 2 1 274.408 2.626 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049609273 523253277 /nfs/dbraw/zinc/25/32/77/523253277.db2.gz BYLYLWYMVZOVBP-CQSZACIVSA-N 2 1 274.383 2.758 10 30 CFEEMP C[N@@H+](Cc1ccsc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609108 523483834 /nfs/dbraw/zinc/48/38/34/523483834.db2.gz LQDXCSLYRTWGBF-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205641 523798108 /nfs/dbraw/zinc/79/81/08/523798108.db2.gz RZCUNCJYRSYOCS-INIZCTEOSA-N 2 1 257.381 2.522 10 30 CFEEMP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000052205641 523798112 /nfs/dbraw/zinc/79/81/12/523798112.db2.gz RZCUNCJYRSYOCS-INIZCTEOSA-N 2 1 257.381 2.522 10 30 CFEEMP Cc1ccccc1C[N@@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609774 525128325 /nfs/dbraw/zinc/12/83/25/525128325.db2.gz GVVXSRFNNPCBQZ-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049608646 525385310 /nfs/dbraw/zinc/38/53/10/525385310.db2.gz GOJWNQIVRSSGQV-OKILXGFUSA-N 2 1 274.383 2.614 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000050566702 525641270 /nfs/dbraw/zinc/64/12/70/525641270.db2.gz IRGZYZREDZBNRR-UONOGXRCSA-N 2 1 274.383 2.756 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000050566698 525643105 /nfs/dbraw/zinc/64/31/05/525643105.db2.gz OYLLGGUSAURAPP-LSDHHAIUSA-N 2 1 256.393 2.617 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058496 527449209 /nfs/dbraw/zinc/44/92/09/527449209.db2.gz GCMYPYCCOXSBEM-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058496 527449213 /nfs/dbraw/zinc/44/92/13/527449213.db2.gz GCMYPYCCOXSBEM-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154542425 188148566 /nfs/dbraw/zinc/14/85/66/188148566.db2.gz WMMGPNXQVNMUIM-GOSISDBHSA-N 2 1 297.377 2.847 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000154542425 188148568 /nfs/dbraw/zinc/14/85/68/188148568.db2.gz WMMGPNXQVNMUIM-GOSISDBHSA-N 2 1 297.377 2.847 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683705 175091779 /nfs/dbraw/zinc/09/17/79/175091779.db2.gz FATHNTCGAKFJBO-GFCCVEGCSA-N 2 1 250.411 2.535 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043683725 175092215 /nfs/dbraw/zinc/09/22/15/175092215.db2.gz ZUHTZDCBXXLPOQ-ZDUSSCGKSA-N 2 1 262.422 2.680 10 30 CFEEMP CCC[N@@H+](Cc1sccc1C#CC[NH3+])C(C)C ZINC000043683637 175092322 /nfs/dbraw/zinc/09/23/22/175092322.db2.gz GAHFWZQYICMCJW-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1cc(C#CC[NH3+])cs1 ZINC000043689018 175095321 /nfs/dbraw/zinc/09/53/21/175095321.db2.gz MXXNPXURLNXXTB-UHFFFAOYSA-N 2 1 274.389 2.673 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609256 521541581 /nfs/dbraw/zinc/54/15/81/521541581.db2.gz LFKOXSFIQOYCNN-UHFFFAOYSA-N 2 1 262.372 2.756 10 30 CFEEMP CCCC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC1 ZINC000049609606 520543619 /nfs/dbraw/zinc/54/36/19/520543619.db2.gz ZZFAFLWJGPPMDA-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608913 523176048 /nfs/dbraw/zinc/17/60/48/523176048.db2.gz AIBWJAUCWHISFY-QGZVFWFLSA-N 2 1 286.419 2.640 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608919 523178240 /nfs/dbraw/zinc/17/82/40/523178240.db2.gz DUGQNTTVWMENCY-QGZVFWFLSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608911 523178392 /nfs/dbraw/zinc/17/83/92/523178392.db2.gz LROHDWYAJXWEDH-QGZVFWFLSA-N 2 1 286.419 2.770 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])ccc2OC)C1 ZINC000049609263 523248972 /nfs/dbraw/zinc/24/89/72/523248972.db2.gz FOWRKMILVULGQW-OAHLLOKOSA-N 2 1 286.419 2.627 10 30 CFEEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608940 523934959 /nfs/dbraw/zinc/93/49/59/523934959.db2.gz JJNGIGNAJIHWRE-AWEZNQCLSA-N 2 1 274.408 2.626 10 30 CFEEMP N#Cc1ccc(F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000069402144 526640939 /nfs/dbraw/zinc/64/09/39/526640939.db2.gz RXALYEKIOMFJDE-QGZVFWFLSA-N 2 1 287.382 2.661 10 30 CFEEMP C#CCOc1cccc(C[NH2+]CCC[NH+](CC)CC)c1 ZINC000045946491 373038087 /nfs/dbraw/zinc/03/80/87/373038087.db2.gz FOXSVZQSQOLVOR-UHFFFAOYSA-N 2 1 274.408 2.520 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677712 376881914 /nfs/dbraw/zinc/88/19/14/376881914.db2.gz WMXXITXEZUUEBQ-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677712 376881924 /nfs/dbraw/zinc/88/19/24/376881924.db2.gz WMXXITXEZUUEBQ-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193045331 382714916 /nfs/dbraw/zinc/71/49/16/382714916.db2.gz XPUHTDJEGAMNSF-HRCADAONSA-N 2 1 263.429 2.779 10 30 CFEEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193045331 382714917 /nfs/dbraw/zinc/71/49/17/382714917.db2.gz XPUHTDJEGAMNSF-HRCADAONSA-N 2 1 263.429 2.779 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1sccc1C#CC[NH3+] ZINC000043683630 175091540 /nfs/dbraw/zinc/09/15/40/175091540.db2.gz CXGAIEGZQDFXIF-GFCCVEGCSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1cccc(C[N@@H+](C)Cc2sccc2C#CC[NH3+])c1 ZINC000043684055 175092249 /nfs/dbraw/zinc/09/22/49/175092249.db2.gz DRJAOOJRFLKWAR-UHFFFAOYSA-N 2 1 284.428 2.999 10 30 CFEEMP CCC(CC)[N@@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684226 175092578 /nfs/dbraw/zinc/09/25/78/175092578.db2.gz DATFCEADJWOIKS-UHFFFAOYSA-N 2 1 294.464 2.695 10 30 CFEEMP CCCCC[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609048 520153300 /nfs/dbraw/zinc/15/33/00/520153300.db2.gz GEELSAZREFLQJY-UHFFFAOYSA-N 2 1 262.372 2.758 10 30 CFEEMP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609234 519811812 /nfs/dbraw/zinc/81/18/12/519811812.db2.gz XCQOWQALSPTRRN-ZDUSSCGKSA-N 2 1 262.372 2.612 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609862 521399405 /nfs/dbraw/zinc/39/94/05/521399405.db2.gz GVCVGOCYTUAEIR-UHFFFAOYSA-N 2 1 286.350 2.751 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608735 524362973 /nfs/dbraw/zinc/36/29/73/524362973.db2.gz OWZJTGXEOOTKPZ-OKILXGFUSA-N 2 1 274.383 2.899 10 30 CFEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049608649 525385685 /nfs/dbraw/zinc/38/56/85/525385685.db2.gz LAZFABDEXXNRHQ-OKILXGFUSA-N 2 1 274.383 2.614 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000050566682 525641231 /nfs/dbraw/zinc/64/12/31/525641231.db2.gz YPJFSMDEKGGTRP-LSDHHAIUSA-N 2 1 256.393 2.617 10 30 CFEEMP [NH3+]CC#Cc1cccc(C[N@H+]2CCc3sccc3C2)c1 ZINC000049608510 527151180 /nfs/dbraw/zinc/15/11/80/527151180.db2.gz AQZGRDBWUNTMQD-UHFFFAOYSA-N 2 1 282.412 2.617 10 30 CFEEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817885 179345845 /nfs/dbraw/zinc/34/58/45/179345845.db2.gz PAXBTEMLDIGBJH-BBRMVZONSA-N 2 1 257.381 2.693 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000178287750 189102559 /nfs/dbraw/zinc/10/25/59/189102559.db2.gz AJVAYWJDFFLUGP-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000178287750 189102560 /nfs/dbraw/zinc/10/25/60/189102560.db2.gz AJVAYWJDFFLUGP-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683747 175091717 /nfs/dbraw/zinc/09/17/17/175091717.db2.gz AGOLPKGNENTDGQ-GFCCVEGCSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1ccccc1C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683946 175091963 /nfs/dbraw/zinc/09/19/63/175091963.db2.gz CZQNSUAKQYKFCL-UHFFFAOYSA-N 2 1 284.428 2.999 10 30 CFEEMP CC[C@H](C)[N@@H+](CC)Cc1ccc(C#CC[NH3+])s1 ZINC000043683628 175092184 /nfs/dbraw/zinc/09/21/84/175092184.db2.gz LOABUSKRKBOMGZ-LBPRGKRZSA-N 2 1 250.411 2.679 10 30 CFEEMP CCC(CC)[N@@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689117 175095363 /nfs/dbraw/zinc/09/53/63/175095363.db2.gz RFXNFAJWFUGJCU-UHFFFAOYSA-N 2 1 294.464 2.695 10 30 CFEEMP CC(C)C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CC1 ZINC000043689101 175096004 /nfs/dbraw/zinc/09/60/04/175096004.db2.gz YHVQWROAOOLVAI-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609904 519651076 /nfs/dbraw/zinc/65/10/76/519651076.db2.gz WFYACQVFKLLKHY-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049609274 523092844 /nfs/dbraw/zinc/09/28/44/523092844.db2.gz BYLYLWYMVZOVBP-AWEZNQCLSA-N 2 1 274.383 2.758 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049608907 523178013 /nfs/dbraw/zinc/17/80/13/523178013.db2.gz QTGDXYLAPSASJU-QGZVFWFLSA-N 2 1 256.393 2.761 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049609271 523251851 /nfs/dbraw/zinc/25/18/51/523251851.db2.gz HXFGPHWTRZJLGB-OAHLLOKOSA-N 2 1 256.393 2.619 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049609275 523252893 /nfs/dbraw/zinc/25/28/93/523252893.db2.gz CDTGYWWXTRZDRI-CQSZACIVSA-N 2 1 274.383 2.758 10 30 CFEEMP Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#CC[NH3+])c2)o1 ZINC000049609114 524396224 /nfs/dbraw/zinc/39/62/24/524396224.db2.gz MBLZXDOGKPZKGS-UHFFFAOYSA-N 2 1 286.350 2.669 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#CC[NH3+])c2)o1 ZINC000049609114 524396230 /nfs/dbraw/zinc/39/62/30/524396230.db2.gz MBLZXDOGKPZKGS-UHFFFAOYSA-N 2 1 286.350 2.669 10 30 CFEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CCCCC1 ZINC000043690889 570261715 /nfs/dbraw/zinc/26/17/15/570261715.db2.gz YCSCOHNDBOLBGQ-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccc(F)cc1 ZINC000043689035 175095805 /nfs/dbraw/zinc/09/58/05/175095805.db2.gz SDFSMNYFIMISCA-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)CC(C)(C)C ZINC000045086717 175304314 /nfs/dbraw/zinc/30/43/14/175304314.db2.gz JXQIUTYVYFSFOU-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054828570 519616838 /nfs/dbraw/zinc/61/68/38/519616838.db2.gz OXMDHXYLFNCOPY-HUUCEWRRSA-N 2 1 251.418 2.779 10 30 CFEEMP CCC[N@H+](Cc1ccccc1C#CC[NH3+])CC1CC1 ZINC000049609633 521686745 /nfs/dbraw/zinc/68/67/45/521686745.db2.gz OXZGVBAIUVOYHH-UHFFFAOYSA-N 2 1 256.393 2.619 10 30 CFEEMP CC[C@H](C)[N@@H+](CC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608950 523934061 /nfs/dbraw/zinc/93/40/61/523934061.db2.gz AOIPJZJTLDONEQ-ZDUSSCGKSA-N 2 1 262.372 2.756 10 30 CFEEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608403 524114111 /nfs/dbraw/zinc/11/41/11/524114111.db2.gz KZUJRQPBIJZWRP-CYBMUJFWSA-N 2 1 260.356 2.510 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608717 524364102 /nfs/dbraw/zinc/36/41/02/524364102.db2.gz RDNIJWMLAUGHHE-IYBDPMFKSA-N 2 1 286.419 2.639 10 30 CFEEMP CCCCCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000172655804 623297955 /nfs/dbraw/zinc/29/79/55/623297955.db2.gz QUXKVQZKZFZPMP-INIZCTEOSA-N 2 1 284.488 2.981 10 30 CFEEMP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646602 348442040 /nfs/dbraw/zinc/44/20/40/348442040.db2.gz STAOSWVQYHYCFE-AWEZNQCLSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646602 348442042 /nfs/dbraw/zinc/44/20/42/348442042.db2.gz STAOSWVQYHYCFE-AWEZNQCLSA-N 2 1 298.365 2.588 10 30 CFEEMP CC1=C/C(=[NH+]/n2cccc2)C=C/C1=[NH+]/n1cccc1 ZINC000101169231 375633984 /nfs/dbraw/zinc/63/39/84/375633984.db2.gz QRLREMPILCQRFD-GGTPAPDOSA-N 2 1 250.305 2.914 10 30 CFEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCCC#N)C2)[nH+]1 ZINC000171037743 379215266 /nfs/dbraw/zinc/21/52/66/379215266.db2.gz DQSNVUXVGQKRMW-HNNXBMFYSA-N 2 1 272.396 2.818 10 30 CFEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCCC#N)C2)[nH+]1 ZINC000171037743 379215280 /nfs/dbraw/zinc/21/52/80/379215280.db2.gz DQSNVUXVGQKRMW-HNNXBMFYSA-N 2 1 272.396 2.818 10 30 CFEEMP C[N@H+](Cc1ccsc1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683677 175092180 /nfs/dbraw/zinc/09/21/80/175092180.db2.gz VVADNBBLHCGXHR-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC(C)C[N@@H+](Cc1sccc1C#CC[NH3+])C1CC1 ZINC000043684182 175092848 /nfs/dbraw/zinc/09/28/48/175092848.db2.gz RZFQQJKDNXFVPR-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP C=C(Cl)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000151104579 327210224 /nfs/dbraw/zinc/21/02/24/327210224.db2.gz CMRMIDDWNQNYNZ-LBPRGKRZSA-N 2 1 251.761 2.568 10 30 CFEEMP C=C(C)C[N@@H+](CC)CCOc1cccc(C[NH2+]C)c1 ZINC000052423396 518598847 /nfs/dbraw/zinc/59/88/47/518598847.db2.gz BWRCKJZOSCICLJ-UHFFFAOYSA-N 2 1 262.397 2.683 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609318 521035096 /nfs/dbraw/zinc/03/50/96/521035096.db2.gz QIOCCXVEIOXQNV-ZDUSSCGKSA-N 2 1 262.372 2.756 10 30 CFEEMP CCC(C)(C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000069443118 521307366 /nfs/dbraw/zinc/30/73/66/521307366.db2.gz GPNJSWVEOMXOIM-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CC[N@H+](Cc1ccco1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609859 521399139 /nfs/dbraw/zinc/39/91/39/521399139.db2.gz QOPOWPQQGPYLHA-UHFFFAOYSA-N 2 1 286.350 2.751 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609859 521399145 /nfs/dbraw/zinc/39/91/45/521399145.db2.gz QOPOWPQQGPYLHA-UHFFFAOYSA-N 2 1 286.350 2.751 10 30 CFEEMP CCC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C(C)C ZINC000049608961 521684285 /nfs/dbraw/zinc/68/42/85/521684285.db2.gz JKZPFVRCHAIBTK-UHFFFAOYSA-N 2 1 262.372 2.756 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608914 523028046 /nfs/dbraw/zinc/02/80/46/523028046.db2.gz AIBWJAUCWHISFY-KRWDZBQOSA-N 2 1 286.419 2.640 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609960 523251127 /nfs/dbraw/zinc/25/11/27/523251127.db2.gz XJKFALMEQUGEHG-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccccc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049608526 523346072 /nfs/dbraw/zinc/34/60/72/523346072.db2.gz AGCBAIZSZNWJGE-UHFFFAOYSA-N 2 1 264.372 2.629 10 30 CFEEMP Cc1cccc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])cc2)c1 ZINC000049609962 524376317 /nfs/dbraw/zinc/37/63/17/524376317.db2.gz UXTVMDFMDBVPIA-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180130479 189238952 /nfs/dbraw/zinc/23/89/52/189238952.db2.gz ANMXEPYOYJONME-ZDUSSCGKSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000180130479 189238953 /nfs/dbraw/zinc/23/89/53/189238953.db2.gz ANMXEPYOYJONME-ZDUSSCGKSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000180132115 380624404 /nfs/dbraw/zinc/62/44/04/380624404.db2.gz AFVLVPSFEWANLI-AWEZNQCLSA-N 2 1 286.404 2.789 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000180132115 380624411 /nfs/dbraw/zinc/62/44/11/380624411.db2.gz AFVLVPSFEWANLI-AWEZNQCLSA-N 2 1 286.404 2.789 10 30 CFEEMP CC(C)[N@H+](Cc1ccc(C#CC[NH3+])s1)CC1CC1 ZINC000043684193 175092784 /nfs/dbraw/zinc/09/27/84/175092784.db2.gz AQGSUBZILQWOTM-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP [NH3+]CC#Cc1ccsc1C[N@H+](Cc1ccco1)C1CC1 ZINC000043684248 175092875 /nfs/dbraw/zinc/09/28/75/175092875.db2.gz NBAPPCHHTCSREP-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP [NH3+]CC#Cc1ccsc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000043684248 175092876 /nfs/dbraw/zinc/09/28/76/175092876.db2.gz NBAPPCHHTCSREP-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP C[C@H]([N@@H+](C)Cc1sccc1C#CC[NH3+])C(C)(C)C ZINC000043684251 175092890 /nfs/dbraw/zinc/09/28/90/175092890.db2.gz TVJOHDRBUORDHK-LBPRGKRZSA-N 2 1 264.438 2.925 10 30 CFEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccccc1 ZINC000043688810 175096013 /nfs/dbraw/zinc/09/60/13/175096013.db2.gz KJGAVQAURZZWIB-UHFFFAOYSA-N 2 1 270.401 2.690 10 30 CFEEMP CCCCC[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609042 520153060 /nfs/dbraw/zinc/15/30/60/520153060.db2.gz WMCILYZWDYQCQG-UHFFFAOYSA-N 2 1 274.408 2.627 10 30 CFEEMP CCCC[N@@H+](CC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608566 520478196 /nfs/dbraw/zinc/47/81/96/520478196.db2.gz CBIDKGYCLWIPKC-UHFFFAOYSA-N 2 1 262.372 2.758 10 30 CFEEMP CC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C1CCCC1 ZINC000049609172 521336896 /nfs/dbraw/zinc/33/68/96/521336896.db2.gz FCCVRIPGBZMLQN-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP CCC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC1 ZINC000049608971 521684077 /nfs/dbraw/zinc/68/40/77/521684077.db2.gz CKJUEFPPPWJGIC-UHFFFAOYSA-N 2 1 260.356 2.510 10 30 CFEEMP CC[C@H]1CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608271 523107273 /nfs/dbraw/zinc/10/72/73/523107273.db2.gz IHCMCYXIVQFYIF-HNNXBMFYSA-N 2 1 260.356 2.510 10 30 CFEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1ccccc1F ZINC000049609730 523204016 /nfs/dbraw/zinc/20/40/16/523204016.db2.gz FNHMLFXCJZABRK-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1ccccc1F ZINC000049609730 523204021 /nfs/dbraw/zinc/20/40/21/523204021.db2.gz FNHMLFXCJZABRK-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP CC[C@@H]1CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608270 523270275 /nfs/dbraw/zinc/27/02/75/523270275.db2.gz IHCMCYXIVQFYIF-OAHLLOKOSA-N 2 1 260.356 2.510 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049608738 524364345 /nfs/dbraw/zinc/36/43/45/524364345.db2.gz VEVATIFVIKLYBX-GASCZTMLSA-N 2 1 256.393 2.760 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192058387 130360900 /nfs/dbraw/zinc/36/09/00/130360900.db2.gz OFPLHXXAMQACSY-SFHVURJKSA-N 2 1 279.387 2.708 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192058387 130360904 /nfs/dbraw/zinc/36/09/04/130360904.db2.gz OFPLHXXAMQACSY-SFHVURJKSA-N 2 1 279.387 2.708 10 30 CFEEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040621334 174354667 /nfs/dbraw/zinc/35/46/67/174354667.db2.gz IYHZMFSKHXFPAS-GOEBONIOSA-N 2 1 271.408 2.939 10 30 CFEEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683657 175091625 /nfs/dbraw/zinc/09/16/25/175091625.db2.gz QESKOTNCNNEAEL-GFCCVEGCSA-N 2 1 250.411 2.536 10 30 CFEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccccc1F ZINC000043683924 175092238 /nfs/dbraw/zinc/09/22/38/175092238.db2.gz CMGPURFZYUUASP-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccccc1F ZINC000043683924 175092239 /nfs/dbraw/zinc/09/22/39/175092239.db2.gz CMGPURFZYUUASP-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684184 175093135 /nfs/dbraw/zinc/09/31/35/175093135.db2.gz IIXJWWXUULKEKK-ZDUSSCGKSA-N 2 1 264.438 2.925 10 30 CFEEMP CC(C)[N@H+](Cc1cc(C#CC[NH3+])cs1)CC1CC1 ZINC000043689107 175095746 /nfs/dbraw/zinc/09/57/46/175095746.db2.gz PKIIUWDIJMEBOB-UHFFFAOYSA-N 2 1 262.422 2.679 10 30 CFEEMP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)CC(C)C ZINC000043688879 175095761 /nfs/dbraw/zinc/09/57/61/175095761.db2.gz XCRDYYWXNFCNRA-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689102 175095936 /nfs/dbraw/zinc/09/59/36/175095936.db2.gz LOEMRCKOUIOXTB-CYBMUJFWSA-N 2 1 264.438 2.925 10 30 CFEEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688827 175095948 /nfs/dbraw/zinc/09/59/48/175095948.db2.gz PQGVNPLVGDCYMJ-BETUJISGSA-N 2 1 262.422 2.536 10 30 CFEEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000044573150 175210209 /nfs/dbraw/zinc/21/02/09/175210209.db2.gz IAEHWYFSJAGCHY-UHFFFAOYSA-N 2 1 259.397 2.768 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)CC(C)(C)C ZINC000045086738 175304430 /nfs/dbraw/zinc/30/44/30/175304430.db2.gz HYUYTTZVRFXKHQ-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609907 519650751 /nfs/dbraw/zinc/65/07/51/519650751.db2.gz MTKFUMGTXZPEGS-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609324 521035122 /nfs/dbraw/zinc/03/51/22/521035122.db2.gz QKZWFRAXHDOJBL-ZDUSSCGKSA-N 2 1 262.372 2.756 10 30 CFEEMP CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608274 523268524 /nfs/dbraw/zinc/26/85/24/523268524.db2.gz AJFFZGMKJAAPII-MRXNPFEDSA-N 2 1 260.356 2.510 10 30 CFEEMP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)C1CCCCC1 ZINC000049608585 523289922 /nfs/dbraw/zinc/28/99/22/523289922.db2.gz IWNXNJBUKGTQOB-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP COc1ccc(C[N@@H+](C)C2CCCCC2)cc1C#CC[NH3+] ZINC000049608582 524001992 /nfs/dbraw/zinc/00/19/92/524001992.db2.gz KYKHAPUVUZTKLB-UHFFFAOYSA-N 2 1 286.419 2.770 10 30 CFEEMP COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C#CC[NH3+] ZINC000049608729 524043561 /nfs/dbraw/zinc/04/35/61/524043561.db2.gz YZCPROQKALEPCP-GASCZTMLSA-N 2 1 286.419 2.768 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000050566683 524232142 /nfs/dbraw/zinc/23/21/42/524232142.db2.gz OHMVOXWTUTWPJV-HUUCEWRRSA-N 2 1 256.393 2.617 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CC[NH3+])[C@@H]1C ZINC000050566699 524235098 /nfs/dbraw/zinc/23/50/98/524235098.db2.gz FQHHYWXWSQXIGL-ZIAGYGMSSA-N 2 1 274.383 2.756 10 30 CFEEMP C[C@@H]1CCC[C@](C[NH2+]CCCCC#N)([NH+](C)C)C1 ZINC000049578496 524430884 /nfs/dbraw/zinc/43/08/84/524430884.db2.gz KNRQDOPZLZXXSS-CABCVRRESA-N 2 1 251.418 2.780 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000050566684 525641851 /nfs/dbraw/zinc/64/18/51/525641851.db2.gz OHMVOXWTUTWPJV-LSDHHAIUSA-N 2 1 256.393 2.617 10 30 CFEEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817883 179346069 /nfs/dbraw/zinc/34/60/69/179346069.db2.gz PAXBTEMLDIGBJH-XJKSGUPXSA-N 2 1 257.381 2.693 10 30 CFEEMP CC#CCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000155751948 394322277 /nfs/dbraw/zinc/32/22/77/394322277.db2.gz MVMGHRYDNHDVAC-OAHLLOKOSA-N 2 1 257.381 2.537 10 30 CFEEMP CC#CCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000155751948 394322279 /nfs/dbraw/zinc/32/22/79/394322279.db2.gz MVMGHRYDNHDVAC-OAHLLOKOSA-N 2 1 257.381 2.537 10 30 CFEEMP CCCC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C1CC1 ZINC000043683846 175092077 /nfs/dbraw/zinc/09/20/77/175092077.db2.gz VVHAWMPUQRFTHY-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)Cc1cccc(F)c1 ZINC000043688862 175095928 /nfs/dbraw/zinc/09/59/28/175095928.db2.gz PZMUZKAASFKIST-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609250 521543509 /nfs/dbraw/zinc/54/35/09/521543509.db2.gz KNRLFILRAHNYQH-UHFFFAOYSA-N 2 1 274.408 2.626 10 30 CFEEMP C=CC[NH+](CC=C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181535 518769283 /nfs/dbraw/zinc/76/92/83/518769283.db2.gz QMGKABHJOFDIOV-UHFFFAOYSA-N 2 1 280.456 2.845 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000050566700 525643158 /nfs/dbraw/zinc/64/31/58/525643158.db2.gz FQHHYWXWSQXIGL-UONOGXRCSA-N 2 1 274.383 2.756 10 30 CFEEMP [NH3+]CC#Cc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000050911913 527153972 /nfs/dbraw/zinc/15/39/72/527153972.db2.gz CAJUDERIEDHLHI-UHFFFAOYSA-N 2 1 262.356 2.513 10 30 CFEEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817884 179345904 /nfs/dbraw/zinc/34/59/04/179345904.db2.gz PAXBTEMLDIGBJH-CZUORRHYSA-N 2 1 257.381 2.693 10 30 CFEEMP C[N@@H+](CCS)CCCCCC[NH2+]Cc1ccccc1N ZINC000584601652 348685580 /nfs/dbraw/zinc/68/55/80/348685580.db2.gz JDIBDZMCWBXULR-UHFFFAOYSA-N 2 1 295.496 2.780 10 30 CFEEMP Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)c(C)n1 ZINC000219877162 393760803 /nfs/dbraw/zinc/76/08/03/393760803.db2.gz UZHNBQCOFLPTOJ-ZBFHGGJFSA-N 2 1 270.380 2.609 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043683614 175091671 /nfs/dbraw/zinc/09/16/71/175091671.db2.gz USRGFTWULDPWCG-CYBMUJFWSA-N 2 1 262.422 2.823 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1sccc1C#CC[NH3+] ZINC000043683676 175091799 /nfs/dbraw/zinc/09/17/99/175091799.db2.gz VNVAEZHWTMNSDN-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC(C)C[C@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684186 175093015 /nfs/dbraw/zinc/09/30/15/175093015.db2.gz SIYZWTAPDMSCSX-ZDUSSCGKSA-N 2 1 264.438 2.925 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688907 175095551 /nfs/dbraw/zinc/09/55/51/175095551.db2.gz FVBHMSSJHVTSMZ-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609025 521970082 /nfs/dbraw/zinc/97/00/82/521970082.db2.gz IRRXBNMPXPTINZ-CYBMUJFWSA-N 2 1 262.372 2.614 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049609259 523251739 /nfs/dbraw/zinc/25/17/39/523251739.db2.gz HHUOAKTWSAFANO-OAHLLOKOSA-N 2 1 256.393 2.619 10 30 CFEEMP C[N@@H+](Cc1ccsc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609101 523484637 /nfs/dbraw/zinc/48/46/37/523484637.db2.gz QCNXJXSEVODXJB-UHFFFAOYSA-N 2 1 270.401 2.690 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608744 524364439 /nfs/dbraw/zinc/36/44/39/524364439.db2.gz CBTARHMEDJEQJF-OKILXGFUSA-N 2 1 274.383 2.899 10 30 CFEEMP C=CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862892 527572466 /nfs/dbraw/zinc/57/24/66/527572466.db2.gz KVBXTZXGNSLSJJ-GOSISDBHSA-N 2 1 288.435 2.550 10 30 CFEEMP CCCCCCCCCCON1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000137190932 347912972 /nfs/dbraw/zinc/91/29/72/347912972.db2.gz JFYUIKOAFDIQAH-UHFFFAOYSA-N 2 1 297.447 2.740 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000178307625 189105459 /nfs/dbraw/zinc/10/54/59/189105459.db2.gz KQJBSEBBRBKRME-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000178307625 189105460 /nfs/dbraw/zinc/10/54/60/189105460.db2.gz KQJBSEBBRBKRME-MRXNPFEDSA-N 2 1 298.365 2.867 10 30 CFEEMP C=CCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284092 382765944 /nfs/dbraw/zinc/76/59/44/382765944.db2.gz XVKAGWXZRSDNJC-QGZVFWFLSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284092 382765946 /nfs/dbraw/zinc/76/59/46/382765946.db2.gz XVKAGWXZRSDNJC-QGZVFWFLSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284092 382765947 /nfs/dbraw/zinc/76/59/47/382765947.db2.gz XVKAGWXZRSDNJC-QGZVFWFLSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284092 382765950 /nfs/dbraw/zinc/76/59/50/382765950.db2.gz XVKAGWXZRSDNJC-QGZVFWFLSA-N 2 1 273.424 2.802 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683618 175091648 /nfs/dbraw/zinc/09/16/48/175091648.db2.gz NOMMGWYGSWNNQM-CQSZACIVSA-N 2 1 262.422 2.823 10 30 CFEEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683659 175091734 /nfs/dbraw/zinc/09/17/34/175091734.db2.gz QESKOTNCNNEAEL-LBPRGKRZSA-N 2 1 250.411 2.536 10 30 CFEEMP C[C@H]([N@@H+](C)Cc1ccc(C#CC[NH3+])s1)C(C)(C)C ZINC000043684249 175092926 /nfs/dbraw/zinc/09/29/26/175092926.db2.gz HIXUGLINRQZQFR-LBPRGKRZSA-N 2 1 264.438 2.925 10 30 CFEEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000195300080 262249286 /nfs/dbraw/zinc/24/92/86/262249286.db2.gz KUFCHJJGUZYCGP-QGZVFWFLSA-N 2 1 286.423 2.529 10 30 CFEEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000195300080 262249287 /nfs/dbraw/zinc/24/92/87/262249287.db2.gz KUFCHJJGUZYCGP-QGZVFWFLSA-N 2 1 286.423 2.529 10 30 CFEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000195300080 262249288 /nfs/dbraw/zinc/24/92/88/262249288.db2.gz KUFCHJJGUZYCGP-QGZVFWFLSA-N 2 1 286.423 2.529 10 30 CFEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000195300080 262249289 /nfs/dbraw/zinc/24/92/89/262249289.db2.gz KUFCHJJGUZYCGP-QGZVFWFLSA-N 2 1 286.423 2.529 10 30 CFEEMP C=CCCCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336821 333248207 /nfs/dbraw/zinc/24/82/07/333248207.db2.gz SPWBESRLCFUYLD-INIZCTEOSA-N 2 1 282.472 2.757 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609906 519650453 /nfs/dbraw/zinc/65/04/53/519650453.db2.gz UJIBCECOXOKMBN-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CC[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)CC(C)C ZINC000049608852 521313675 /nfs/dbraw/zinc/31/36/75/521313675.db2.gz BIFNPFAEKWYEBS-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608922 523027198 /nfs/dbraw/zinc/02/71/98/523027198.db2.gz GJFIVMZWOBICQP-INIZCTEOSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608277 523108068 /nfs/dbraw/zinc/10/80/68/523108068.db2.gz GPFJIFQTXXARJJ-HNNXBMFYSA-N 2 1 260.356 2.510 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608909 523178919 /nfs/dbraw/zinc/17/89/19/523178919.db2.gz AVQCWGXWMKDZIH-QGZVFWFLSA-N 2 1 286.419 2.770 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)[C@@H]1C ZINC000050566667 524233026 /nfs/dbraw/zinc/23/30/26/524233026.db2.gz TUQVGDRAWUCQCI-CHWSQXEVSA-N 2 1 262.422 2.679 10 30 CFEEMP Cc1ccccc1C[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609773 525127417 /nfs/dbraw/zinc/12/74/17/525127417.db2.gz WDYKNWSFZWVRMU-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000050566666 525638440 /nfs/dbraw/zinc/63/84/40/525638440.db2.gz URIPLTDCDDVJBH-QWHCGFSZSA-N 2 1 262.422 2.679 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609920 526824023 /nfs/dbraw/zinc/82/40/23/526824023.db2.gz GYVYZRPKLYPMDM-UHFFFAOYSA-N 2 1 268.360 2.530 10 30 CFEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCc2ccccc2C1 ZINC000049608574 527153449 /nfs/dbraw/zinc/15/34/49/527153449.db2.gz SDOHWRWDWYFKIQ-UHFFFAOYSA-N 2 1 276.383 2.555 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058491 527441938 /nfs/dbraw/zinc/44/19/38/527441938.db2.gz GCMYPYCCOXSBEM-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058491 527441943 /nfs/dbraw/zinc/44/19/43/527441943.db2.gz GCMYPYCCOXSBEM-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154542342 188148526 /nfs/dbraw/zinc/14/85/26/188148526.db2.gz WMMGPNXQVNMUIM-SFHVURJKSA-N 2 1 297.377 2.847 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000154542342 188148527 /nfs/dbraw/zinc/14/85/27/188148527.db2.gz WMMGPNXQVNMUIM-SFHVURJKSA-N 2 1 297.377 2.847 10 30 CFEEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)[nH+]1 ZINC000092813158 375161229 /nfs/dbraw/zinc/16/12/29/375161229.db2.gz IULCUDNZLXAFJO-CQSZACIVSA-N 2 1 296.374 2.789 10 30 CFEEMP C=CCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284084 382766092 /nfs/dbraw/zinc/76/60/92/382766092.db2.gz XVKAGWXZRSDNJC-KRWDZBQOSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284084 382766093 /nfs/dbraw/zinc/76/60/93/382766093.db2.gz XVKAGWXZRSDNJC-KRWDZBQOSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284084 382766096 /nfs/dbraw/zinc/76/60/96/382766096.db2.gz XVKAGWXZRSDNJC-KRWDZBQOSA-N 2 1 273.424 2.802 10 30 CFEEMP C=CCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284084 382766097 /nfs/dbraw/zinc/76/60/97/382766097.db2.gz XVKAGWXZRSDNJC-KRWDZBQOSA-N 2 1 273.424 2.802 10 30 CFEEMP CCCCC[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683666 175091695 /nfs/dbraw/zinc/09/16/95/175091695.db2.gz VFEAICWGSFNELY-UHFFFAOYSA-N 2 1 250.411 2.680 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683566 175092124 /nfs/dbraw/zinc/09/21/24/175092124.db2.gz XPMAIDHHPCCLMA-BETUJISGSA-N 2 1 262.422 2.821 10 30 CFEEMP CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C1CCCC1 ZINC000043683691 175092384 /nfs/dbraw/zinc/09/23/84/175092384.db2.gz OZMAHQIDANJKAH-UHFFFAOYSA-N 2 1 262.422 2.823 10 30 CFEEMP CCCC[N@@H+](CC)Cc1ccc(C#CC[NH3+])cc1F ZINC000049608564 520477888 /nfs/dbraw/zinc/47/78/88/520477888.db2.gz JTMYSDJAWFVSBL-UHFFFAOYSA-N 2 1 262.372 2.758 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609237 519791189 /nfs/dbraw/zinc/79/11/89/519791189.db2.gz ATJBLCCLPNYXSJ-CYBMUJFWSA-N 2 1 262.372 2.612 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609311 520644805 /nfs/dbraw/zinc/64/48/05/520644805.db2.gz WZIJHNGYQUJPBA-CQSZACIVSA-N 2 1 274.408 2.626 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049609270 523091571 /nfs/dbraw/zinc/09/15/71/523091571.db2.gz QDZBBVGMXUMKEQ-AWEZNQCLSA-N 2 1 274.383 2.758 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049609272 523092933 /nfs/dbraw/zinc/09/29/33/523092933.db2.gz HXFGPHWTRZJLGB-HNNXBMFYSA-N 2 1 256.393 2.619 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CCCCC1 ZINC000049608584 523204863 /nfs/dbraw/zinc/20/48/63/523204863.db2.gz VOJKEYASIQCBGM-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP C[N@@H+](Cc1ccccc1)Cc1ccccc1C#CC[NH3+] ZINC000049608523 523348074 /nfs/dbraw/zinc/34/80/74/523348074.db2.gz BASXHWMQACXBGP-UHFFFAOYSA-N 2 1 264.372 2.629 10 30 CFEEMP Cc1ccccc1C[N@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609772 525127358 /nfs/dbraw/zinc/12/73/58/525127358.db2.gz DLGQIJYONBSCBE-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609922 526823689 /nfs/dbraw/zinc/82/36/89/526823689.db2.gz KWFYZDOHBXRJKQ-UHFFFAOYSA-N 2 1 286.350 2.669 10 30 CFEEMP [NH3+]CC#Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000049608576 527151649 /nfs/dbraw/zinc/15/16/49/527151649.db2.gz BKLYERUKHVNBRE-UHFFFAOYSA-N 2 1 276.383 2.555 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328643519 348441898 /nfs/dbraw/zinc/44/18/98/348441898.db2.gz RIKVHQDZIGXHJJ-CYBMUJFWSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328643519 348441900 /nfs/dbraw/zinc/44/19/00/348441900.db2.gz RIKVHQDZIGXHJJ-CYBMUJFWSA-N 2 1 298.365 2.588 10 30 CFEEMP C[N@H+](CCCCC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000675075776 540674129 /nfs/dbraw/zinc/67/41/29/540674129.db2.gz UZJOMIZLWVINRY-UHFFFAOYSA-N 2 1 263.429 2.877 10 30 CFEEMP C[N@@H+](CCCCC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000675075776 540674134 /nfs/dbraw/zinc/67/41/34/540674134.db2.gz UZJOMIZLWVINRY-UHFFFAOYSA-N 2 1 263.429 2.877 10 30 CFEEMP Cc1ccc(C[N@@H+](C)Cc2sccc2C#CC[NH3+])o1 ZINC000043683680 175092120 /nfs/dbraw/zinc/09/21/20/175092120.db2.gz HSTDKBVCMRVMRS-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2sccc2C#CC[NH3+])o1 ZINC000043683680 175092121 /nfs/dbraw/zinc/09/21/21/175092121.db2.gz HSTDKBVCMRVMRS-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684029 175092327 /nfs/dbraw/zinc/09/23/27/175092327.db2.gz DUXCIPYMXSTVGU-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1occc1C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684029 175092329 /nfs/dbraw/zinc/09/23/29/175092329.db2.gz DUXCIPYMXSTVGU-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP CC[N@H+](Cc1sccc1C#CC[NH3+])CC(C)C ZINC000043683594 175092430 /nfs/dbraw/zinc/09/24/30/175092430.db2.gz WYCUPSPOCYLBFT-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688924 175095406 /nfs/dbraw/zinc/09/54/06/175095406.db2.gz YXMVJFBGXXUQBS-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP CCCC[N@@H+](CC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608567 520477837 /nfs/dbraw/zinc/47/78/37/520477837.db2.gz ZOHGPBNKLZEFPU-UHFFFAOYSA-N 2 1 262.372 2.758 10 30 CFEEMP CCCC[N@@H+](CC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608561 520479901 /nfs/dbraw/zinc/47/99/01/520479901.db2.gz KGFQHGCFAZZEHF-UHFFFAOYSA-N 2 1 274.408 2.627 10 30 CFEEMP CC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CCCC1 ZINC000049609173 521316065 /nfs/dbraw/zinc/31/60/65/521316065.db2.gz BLAITULYXJRLKO-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608275 523108284 /nfs/dbraw/zinc/10/82/84/523108284.db2.gz AJFFZGMKJAAPII-INIZCTEOSA-N 2 1 260.356 2.510 10 30 CFEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CCCCC1 ZINC000049608587 523239427 /nfs/dbraw/zinc/23/94/27/523239427.db2.gz PUNSAAJRAMKQLD-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205637 523797970 /nfs/dbraw/zinc/79/79/70/523797970.db2.gz KJVOIQUKGBPRFO-INIZCTEOSA-N 2 1 257.381 2.522 10 30 CFEEMP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052205637 523797964 /nfs/dbraw/zinc/79/79/64/523797964.db2.gz KJVOIQUKGBPRFO-INIZCTEOSA-N 2 1 257.381 2.522 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608741 524362233 /nfs/dbraw/zinc/36/22/33/524362233.db2.gz TVMUQKVLQIBTFK-OKILXGFUSA-N 2 1 274.383 2.899 10 30 CFEEMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000371371187 381601090 /nfs/dbraw/zinc/60/10/90/381601090.db2.gz ASYMMQCGLYDMIG-CQSZACIVSA-N 2 1 296.374 2.789 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043683720 175091743 /nfs/dbraw/zinc/09/17/43/175091743.db2.gz UUEQMVFNEWRCPR-CYBMUJFWSA-N 2 1 262.422 2.680 10 30 CFEEMP CC(C)[C@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683710 175092128 /nfs/dbraw/zinc/09/21/28/175092128.db2.gz YPZIUIWTDPFBSB-LBPRGKRZSA-N 2 1 250.411 2.535 10 30 CFEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)Cc1ccc(F)cc1 ZINC000043684052 175092406 /nfs/dbraw/zinc/09/24/06/175092406.db2.gz XQYXHNQKVYFRDT-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688932 175095894 /nfs/dbraw/zinc/09/58/94/175095894.db2.gz NFYLIPKUKOWAKA-LBPRGKRZSA-N 2 1 250.411 2.679 10 30 CFEEMP c1ccc2c(c1)NC(=[NH+]C1CCCC1)C1(CC[NH2+]CC1)N2 ZINC000032918723 326898337 /nfs/dbraw/zinc/89/83/37/326898337.db2.gz ATPKLFZKJVWQRZ-UHFFFAOYSA-N 2 1 284.407 2.987 10 30 CFEEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249051729 334325979 /nfs/dbraw/zinc/32/59/79/334325979.db2.gz XPUHTDJEGAMNSF-OWCLPIDISA-N 2 1 263.429 2.779 10 30 CFEEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249051729 334325980 /nfs/dbraw/zinc/32/59/80/334325980.db2.gz XPUHTDJEGAMNSF-OWCLPIDISA-N 2 1 263.429 2.779 10 30 CFEEMP CC[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CCCC1 ZINC000049609165 521149252 /nfs/dbraw/zinc/14/92/52/521149252.db2.gz AJCOLGHWYXBFRW-UHFFFAOYSA-N 2 1 286.419 2.640 10 30 CFEEMP CC[N@H+]1CCC[C@H](NC2=[NH+][C@H](CC(C)C)CS2)C1 ZINC000049221553 521641535 /nfs/dbraw/zinc/64/15/35/521641535.db2.gz KDVKWIDLBAPBBZ-QWHCGFSZSA-N 2 1 269.458 2.578 10 30 CFEEMP CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049609269 523253298 /nfs/dbraw/zinc/25/32/98/523253298.db2.gz QDZBBVGMXUMKEQ-CQSZACIVSA-N 2 1 274.383 2.758 10 30 CFEEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609026 523868700 /nfs/dbraw/zinc/86/87/00/523868700.db2.gz IRRXBNMPXPTINZ-ZDUSSCGKSA-N 2 1 262.372 2.614 10 30 CFEEMP C[C@H]1CCC[C@](C[NH2+]CCCCC#N)([NH+](C)C)C1 ZINC000049578497 524222701 /nfs/dbraw/zinc/22/27/01/524222701.db2.gz KNRQDOPZLZXXSS-GJZGRUSLSA-N 2 1 251.418 2.780 10 30 CFEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)[nH+]1 ZINC000092813157 375161178 /nfs/dbraw/zinc/16/11/78/375161178.db2.gz IULCUDNZLXAFJO-AWEZNQCLSA-N 2 1 296.374 2.789 10 30 CFEEMP C#C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368593331 381077095 /nfs/dbraw/zinc/07/70/95/381077095.db2.gz ONQZSWULVIGUDB-CCNLRDMRSA-N 2 1 268.404 2.793 10 30 CFEEMP C#C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368593331 381077096 /nfs/dbraw/zinc/07/70/96/381077096.db2.gz ONQZSWULVIGUDB-CCNLRDMRSA-N 2 1 268.404 2.793 10 30 CFEEMP CC[C@H](C)C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683662 175092436 /nfs/dbraw/zinc/09/24/36/175092436.db2.gz HRJKJBQZGHNGHH-LBPRGKRZSA-N 2 1 250.411 2.536 10 30 CFEEMP CCCCC[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609045 520151369 /nfs/dbraw/zinc/15/13/69/520151369.db2.gz XDXRCZSBBWZOKK-UHFFFAOYSA-N 2 1 262.372 2.758 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609251 521542442 /nfs/dbraw/zinc/54/24/42/521542442.db2.gz YQJAMAHZRVEHHU-UHFFFAOYSA-N 2 1 274.408 2.626 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#CC[NH3+])cc1F ZINC000049608945 522085201 /nfs/dbraw/zinc/08/52/01/522085201.db2.gz GLAQMUDHIBXXIB-CYBMUJFWSA-N 2 1 262.372 2.756 10 30 CFEEMP CC(C)c1[nH+]ccn1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049610137 519880288 /nfs/dbraw/zinc/88/02/88/519880288.db2.gz WCDCLAAANQNQBP-UHFFFAOYSA-N 2 1 271.339 2.504 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609323 520645723 /nfs/dbraw/zinc/64/57/23/520645723.db2.gz QKZWFRAXHDOJBL-CYBMUJFWSA-N 2 1 262.372 2.756 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609322 521035051 /nfs/dbraw/zinc/03/50/51/521035051.db2.gz ITTXCTWTMJJMHD-ZDUSSCGKSA-N 2 1 262.372 2.756 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608921 523179027 /nfs/dbraw/zinc/17/90/27/523179027.db2.gz GJFIVMZWOBICQP-MRXNPFEDSA-N 2 1 274.383 2.900 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609959 523249374 /nfs/dbraw/zinc/24/93/74/523249374.db2.gz IBAXPYONQRPYCK-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccccc1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049608525 523346526 /nfs/dbraw/zinc/34/65/26/523346526.db2.gz XIWDHPOCLARMPG-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)C1CCCCC1 ZINC000049608581 523512399 /nfs/dbraw/zinc/51/23/99/523512399.db2.gz GAPNMXXHJXWMOM-UHFFFAOYSA-N 2 1 286.419 2.770 10 30 CFEEMP Cc1cccc(C[N@H+](C)Cc2cccc(C#CC[NH3+])c2)c1 ZINC000049609963 524376397 /nfs/dbraw/zinc/37/63/97/524376397.db2.gz DNESBOCPFUSOJD-UHFFFAOYSA-N 2 1 278.399 2.937 10 30 CFEEMP CC#CCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000155752074 394322242 /nfs/dbraw/zinc/32/22/42/394322242.db2.gz MVMGHRYDNHDVAC-HNNXBMFYSA-N 2 1 257.381 2.537 10 30 CFEEMP CC#CCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000155752074 394322247 /nfs/dbraw/zinc/32/22/47/394322247.db2.gz MVMGHRYDNHDVAC-HNNXBMFYSA-N 2 1 257.381 2.537 10 30 CFEEMP CC[N@@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747436 174392548 /nfs/dbraw/zinc/39/25/48/174392548.db2.gz GKWVAYYKYAAUOK-SJPCQFCGSA-N 2 1 269.392 2.663 10 30 CFEEMP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683706 175091594 /nfs/dbraw/zinc/09/15/94/175091594.db2.gz FATHNTCGAKFJBO-LBPRGKRZSA-N 2 1 250.411 2.535 10 30 CFEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])Cc1ccc(F)cc1 ZINC000043684053 175092160 /nfs/dbraw/zinc/09/21/60/175092160.db2.gz YHYXUVGMELWPLC-UHFFFAOYSA-N 2 1 288.391 2.829 10 30 CFEEMP CC(C)C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C(C)C ZINC000043684191 175093253 /nfs/dbraw/zinc/09/32/53/175093253.db2.gz NIQVUFUNCSAKBJ-UHFFFAOYSA-N 2 1 264.438 2.925 10 30 CFEEMP [NH3+]CC#Cc1csc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000043688805 175096084 /nfs/dbraw/zinc/09/60/84/175096084.db2.gz LAKMWGMOWKBPCF-UHFFFAOYSA-N 2 1 288.441 2.678 10 30 CFEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCc3sccc3C2)c1 ZINC000043688805 175096085 /nfs/dbraw/zinc/09/60/85/175096085.db2.gz LAKMWGMOWKBPCF-UHFFFAOYSA-N 2 1 288.441 2.678 10 30 CFEEMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609313 520647048 /nfs/dbraw/zinc/64/70/48/520647048.db2.gz UEHYLNAVEFMBOH-CQSZACIVSA-N 2 1 274.408 2.626 10 30 CFEEMP C=CCOc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554025 519072431 /nfs/dbraw/zinc/07/24/31/519072431.db2.gz YWSXODQQADQHGV-AWEZNQCLSA-N 2 1 262.397 2.681 10 30 CFEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])ccc1OC)C1CCCC1 ZINC000049609168 521286704 /nfs/dbraw/zinc/28/67/04/521286704.db2.gz CUYAQTBUTVVQRC-UHFFFAOYSA-N 2 1 286.419 2.770 10 30 CFEEMP C[N@H+](Cc1ccccc1F)Cc1ccccc1C#CC[NH3+] ZINC000049609729 523370927 /nfs/dbraw/zinc/37/09/27/523370927.db2.gz DITNHKUOHSASQA-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccccc1F)Cc1ccccc1C#CC[NH3+] ZINC000049609729 523370933 /nfs/dbraw/zinc/37/09/33/523370933.db2.gz DITNHKUOHSASQA-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccsc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609106 523484268 /nfs/dbraw/zinc/48/42/68/523484268.db2.gz GNQMTMPZOMQMIT-UHFFFAOYSA-N 2 1 270.401 2.690 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])[C@@H]1C ZINC000050566673 524238622 /nfs/dbraw/zinc/23/86/22/524238622.db2.gz QJKSEKFSNKGHBG-CHWSQXEVSA-N 2 1 262.422 2.679 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000050566674 525642340 /nfs/dbraw/zinc/64/23/40/525642340.db2.gz QJKSEKFSNKGHBG-QWHCGFSZSA-N 2 1 262.422 2.679 10 30 CFEEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608400 526251673 /nfs/dbraw/zinc/25/16/73/526251673.db2.gz IVHRUJUADLOZEN-ZDUSSCGKSA-N 2 1 260.356 2.510 10 30 CFEEMP Cc1occc1C[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609921 526822454 /nfs/dbraw/zinc/82/24/54/526822454.db2.gz KNLCVVAYFLAFER-UHFFFAOYSA-N 2 1 286.350 2.669 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609921 526822459 /nfs/dbraw/zinc/82/24/59/526822459.db2.gz KNLCVVAYFLAFER-UHFFFAOYSA-N 2 1 286.350 2.669 10 30 CFEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCc2sccc2C1 ZINC000049608507 527152838 /nfs/dbraw/zinc/15/28/38/527152838.db2.gz DMSRNKZRUGDIRB-UHFFFAOYSA-N 2 1 282.412 2.617 10 30 CFEEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000086817886 179345790 /nfs/dbraw/zinc/34/57/90/179345790.db2.gz PAXBTEMLDIGBJH-CJNGLKHVSA-N 2 1 257.381 2.693 10 30 CFEEMP CC(C)[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086841034 179352694 /nfs/dbraw/zinc/35/26/94/179352694.db2.gz RXWQDEUQFIEKFN-KRWDZBQOSA-N 2 1 271.408 2.911 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000178307614 189104629 /nfs/dbraw/zinc/10/46/29/189104629.db2.gz KQJBSEBBRBKRME-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000178307614 189104630 /nfs/dbraw/zinc/10/46/30/189104630.db2.gz KQJBSEBBRBKRME-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP CC(C)CC[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684020 175091631 /nfs/dbraw/zinc/09/16/31/175091631.db2.gz DVORCGYXWQVRTC-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683749 175091843 /nfs/dbraw/zinc/09/18/43/175091843.db2.gz AGOLPKGNENTDGQ-LBPRGKRZSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689027 175095781 /nfs/dbraw/zinc/09/57/81/175095781.db2.gz LCYBCSAISFFDPF-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1occc1C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689027 175095782 /nfs/dbraw/zinc/09/57/82/175095782.db2.gz LCYBCSAISFFDPF-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP C#CCOc1ccccc1C[NH2+]CCCC[N@H+](C)C(C)C ZINC000044573283 175210218 /nfs/dbraw/zinc/21/02/18/175210218.db2.gz XOQQEHBQPQRMJB-UHFFFAOYSA-N 2 1 288.435 2.909 10 30 CFEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])CC(C)(C)C ZINC000045086723 175304015 /nfs/dbraw/zinc/30/40/15/175304015.db2.gz UZLVRYCTGYHAIB-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609314 521036870 /nfs/dbraw/zinc/03/68/70/521036870.db2.gz UEHYLNAVEFMBOH-AWEZNQCLSA-N 2 1 274.408 2.626 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608939 522084084 /nfs/dbraw/zinc/08/40/84/522084084.db2.gz JJNGIGNAJIHWRE-CQSZACIVSA-N 2 1 274.408 2.626 10 30 CFEEMP C=C(C)C[N@@H+](CC)CCOc1ccccc1C[NH2+]C ZINC000052423388 518599448 /nfs/dbraw/zinc/59/94/48/518599448.db2.gz PBJBGWQPLDQBKL-UHFFFAOYSA-N 2 1 262.397 2.683 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609860 521398461 /nfs/dbraw/zinc/39/84/61/521398461.db2.gz BTKYAVLKUBTHCU-UHFFFAOYSA-N 2 1 268.360 2.612 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2F)[C@@H]1C ZINC000050566695 524233069 /nfs/dbraw/zinc/23/30/69/524233069.db2.gz FKYJYRRZIBRSEM-ZIAGYGMSSA-N 2 1 274.383 2.756 10 30 CFEEMP C[C@@H]1CCC[N@@H+](Cc2cccc(C#CC[NH3+])c2)[C@@H]1C ZINC000050566697 524235009 /nfs/dbraw/zinc/23/50/09/524235009.db2.gz OYLLGGUSAURAPP-HUUCEWRRSA-N 2 1 256.393 2.617 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608732 524362616 /nfs/dbraw/zinc/36/26/16/524362616.db2.gz QKSJYCDRTBTVND-IYBDPMFKSA-N 2 1 286.419 2.639 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2ccccc2C#CC[NH3+])o1 ZINC000049609109 524394883 /nfs/dbraw/zinc/39/48/83/524394883.db2.gz YQNFZJUQYQUIMH-UHFFFAOYSA-N 2 1 268.360 2.530 10 30 CFEEMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000050566696 525641887 /nfs/dbraw/zinc/64/18/87/525641887.db2.gz FKYJYRRZIBRSEM-UONOGXRCSA-N 2 1 274.383 2.756 10 30 CFEEMP [NH3+]CC#Cc1cccc(C[NH+]2Cc3ccccc3C2)c1 ZINC000050911916 527151581 /nfs/dbraw/zinc/15/15/81/527151581.db2.gz KWLPEUALIHIJNZ-UHFFFAOYSA-N 2 1 262.356 2.513 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000178287736 189102904 /nfs/dbraw/zinc/10/29/04/189102904.db2.gz AJVAYWJDFFLUGP-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000178287736 189102905 /nfs/dbraw/zinc/10/29/05/189102905.db2.gz AJVAYWJDFFLUGP-INIZCTEOSA-N 2 1 298.365 2.867 10 30 CFEEMP CC[C@H](C)[N@@H+](CC)Cc1sccc1C#CC[NH3+] ZINC000043683633 175092081 /nfs/dbraw/zinc/09/20/81/175092081.db2.gz CXGAIEGZQDFXIF-LBPRGKRZSA-N 2 1 250.411 2.679 10 30 CFEEMP Cc1occc1C[N@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684031 175092360 /nfs/dbraw/zinc/09/23/60/175092360.db2.gz AUOSUGAHRKWFRY-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP Cc1occc1C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043684031 175092361 /nfs/dbraw/zinc/09/23/61/175092361.db2.gz AUOSUGAHRKWFRY-UHFFFAOYSA-N 2 1 274.389 2.592 10 30 CFEEMP CCC(CC)[N@@H+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684224 175092620 /nfs/dbraw/zinc/09/26/20/175092620.db2.gz YPFGRMMNLXRURL-UHFFFAOYSA-N 2 1 294.464 2.695 10 30 CFEEMP CC(C)[N@@H+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828573 519617085 /nfs/dbraw/zinc/61/70/85/519617085.db2.gz OXMDHXYLFNCOPY-CABCVRRESA-N 2 1 251.418 2.779 10 30 CFEEMP CCCC[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CC1 ZINC000049609607 520544627 /nfs/dbraw/zinc/54/46/27/520544627.db2.gz NSFMXYMXZRZBEX-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP CC[N@H+](Cc1ccc(F)cc1C#CC[NH3+])CC(C)C ZINC000049608851 521314338 /nfs/dbraw/zinc/31/43/38/521314338.db2.gz PKWQDKSNOSWILB-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP CC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C1CCCC1 ZINC000049609169 521322485 /nfs/dbraw/zinc/32/24/85/521322485.db2.gz RAIVCPTVLRIPOG-UHFFFAOYSA-N 2 1 286.419 2.770 10 30 CFEEMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608951 522085874 /nfs/dbraw/zinc/08/58/74/522085874.db2.gz AIUHBDIYURXKES-CYBMUJFWSA-N 2 1 262.372 2.756 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049608918 523027294 /nfs/dbraw/zinc/02/72/94/523027294.db2.gz VUVNJOSBVJYNQH-KRWDZBQOSA-N 2 1 256.393 2.761 10 30 CFEEMP CC[C@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608910 523027631 /nfs/dbraw/zinc/02/76/31/523027631.db2.gz AVQCWGXWMKDZIH-KRWDZBQOSA-N 2 1 286.419 2.770 10 30 CFEEMP CC[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609262 523091978 /nfs/dbraw/zinc/09/19/78/523091978.db2.gz MAROTFCLROZCHI-HNNXBMFYSA-N 2 1 256.393 2.619 10 30 CFEEMP Cc1ccc(C[N@H+](C)Cc2ccc(C#CC[NH3+])cc2)o1 ZINC000049609110 524395258 /nfs/dbraw/zinc/39/52/58/524395258.db2.gz BHXDYVBFPDOXMT-UHFFFAOYSA-N 2 1 268.360 2.530 10 30 CFEEMP [NH3+]CC#Cc1csc(C[NH+]2Cc3ccccc3C2)c1 ZINC000050911910 527156177 /nfs/dbraw/zinc/15/61/77/527156177.db2.gz XNMJPUPCKWZULO-UHFFFAOYSA-N 2 1 268.385 2.574 10 30 CFEEMP CC[N@@H+](Cc1ccco1)Cc1sccc1C#CC[NH3+] ZINC000043683996 175091616 /nfs/dbraw/zinc/09/16/16/175091616.db2.gz IECJBUYAYGCQRU-UHFFFAOYSA-N 2 1 274.389 2.673 10 30 CFEEMP CC[N@H+](Cc1ccc(C#CC[NH3+])s1)CC(C)C ZINC000043683593 175092188 /nfs/dbraw/zinc/09/21/88/175092188.db2.gz VLCOEJMPYGMOFG-UHFFFAOYSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[C@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689103 175095587 /nfs/dbraw/zinc/09/55/87/175095587.db2.gz LOEMRCKOUIOXTB-ZDUSSCGKSA-N 2 1 264.438 2.925 10 30 CFEEMP C=CC[NH+](CC=C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181536 518768466 /nfs/dbraw/zinc/76/84/66/518768466.db2.gz WMJWOOUGUAIUOC-UHFFFAOYSA-N 2 1 280.456 2.703 10 30 CFEEMP C=CCOc1ccccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049554026 519073344 /nfs/dbraw/zinc/07/33/44/519073344.db2.gz YWSXODQQADQHGV-CQSZACIVSA-N 2 1 262.397 2.681 10 30 CFEEMP CC(C)c1[nH+]ccn1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610138 519880005 /nfs/dbraw/zinc/88/00/05/519880005.db2.gz RIBMVCTYSUCVEZ-UHFFFAOYSA-N 2 1 271.339 2.504 10 30 CFEEMP CCCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049609600 520545199 /nfs/dbraw/zinc/54/51/99/520545199.db2.gz JLZMOSSBBDYRPD-UHFFFAOYSA-N 2 1 256.393 2.761 10 30 CFEEMP CCC[N@H+](Cc1ccc(F)cc1C#CC[NH3+])CC1CC1 ZINC000049609640 521684629 /nfs/dbraw/zinc/68/46/29/521684629.db2.gz RGHZAYWSKQWIRK-UHFFFAOYSA-N 2 1 274.383 2.758 10 30 CFEEMP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CCCCC1 ZINC000049608586 523254012 /nfs/dbraw/zinc/25/40/12/523254012.db2.gz PBUUTVICSZTQDI-UHFFFAOYSA-N 2 1 274.383 2.900 10 30 CFEEMP C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C#CC[NH3+])c1 ZINC000049608793 523312315 /nfs/dbraw/zinc/31/23/15/523312315.db2.gz BFPYMYHYSQKZNN-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccsc1)Cc1sccc1C#CC[NH3+] ZINC000043683678 175092049 /nfs/dbraw/zinc/09/20/49/175092049.db2.gz YMSSLCBVCYYAFE-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC[C@@H](C)C[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683661 175092089 /nfs/dbraw/zinc/09/20/89/175092089.db2.gz HRJKJBQZGHNGHH-GFCCVEGCSA-N 2 1 250.411 2.536 10 30 CFEEMP CC(C)C[N@@H+](Cc1sccc1C#CC[NH3+])C(C)C ZINC000043684192 175092666 /nfs/dbraw/zinc/09/26/66/175092666.db2.gz LPJUMLJBKAROPQ-UHFFFAOYSA-N 2 1 264.438 2.925 10 30 CFEEMP C[C@@H]([N@@H+](C)Cc1cc(C#CC[NH3+])cs1)C(C)(C)C ZINC000043689127 175096273 /nfs/dbraw/zinc/09/62/73/175096273.db2.gz LMHZLOIESMSSMG-GFCCVEGCSA-N 2 1 264.438 2.925 10 30 CFEEMP [NH3+]CC#Cc1csc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000043689125 175096294 /nfs/dbraw/zinc/09/62/94/175096294.db2.gz CWMTYCKWYHQWQF-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP [NH3+]CC#Cc1csc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000043689125 175096296 /nfs/dbraw/zinc/09/62/96/175096296.db2.gz CWMTYCKWYHQWQF-UHFFFAOYSA-N 2 1 286.400 2.816 10 30 CFEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)CC(C)(C)C ZINC000045086746 175304535 /nfs/dbraw/zinc/30/45/35/175304535.db2.gz AJXFCRDFGOOHMV-UHFFFAOYSA-N 2 1 262.372 2.614 10 30 CFEEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000195300069 262249134 /nfs/dbraw/zinc/24/91/34/262249134.db2.gz KUFCHJJGUZYCGP-KRWDZBQOSA-N 2 1 286.423 2.529 10 30 CFEEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000195300069 262249135 /nfs/dbraw/zinc/24/91/35/262249135.db2.gz KUFCHJJGUZYCGP-KRWDZBQOSA-N 2 1 286.423 2.529 10 30 CFEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000195300069 262249136 /nfs/dbraw/zinc/24/91/36/262249136.db2.gz KUFCHJJGUZYCGP-KRWDZBQOSA-N 2 1 286.423 2.529 10 30 CFEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000195300069 262249137 /nfs/dbraw/zinc/24/91/37/262249137.db2.gz KUFCHJJGUZYCGP-KRWDZBQOSA-N 2 1 286.423 2.529 10 30 CFEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609233 519791080 /nfs/dbraw/zinc/79/10/80/519791080.db2.gz XCQOWQALSPTRRN-CYBMUJFWSA-N 2 1 262.372 2.612 10 30 CFEEMP C=C(C)C[N@H+](CC)Cc1cc(C[NH2+]CCC)no1 ZINC000052423379 518599548 /nfs/dbraw/zinc/59/95/48/518599548.db2.gz RQZFQHAIWATLGF-UHFFFAOYSA-N 2 1 251.374 2.572 10 30 CFEEMP CCC[N@H+](Cc1ccc(C#CC[NH3+])cc1)CC1CC1 ZINC000049609634 521682112 /nfs/dbraw/zinc/68/21/12/521682112.db2.gz ASYSPKYXMYQSRU-UHFFFAOYSA-N 2 1 256.393 2.619 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608903 523174850 /nfs/dbraw/zinc/17/48/50/523174850.db2.gz QKDVAHALDSAKJR-QGZVFWFLSA-N 2 1 286.419 2.640 10 30 CFEEMP CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049608905 523177322 /nfs/dbraw/zinc/17/73/22/523177322.db2.gz VHUKUEZMCSXHEA-QGZVFWFLSA-N 2 1 256.393 2.761 10 30 CFEEMP C[N@H+](Cc1cccc(C#CC[NH3+])c1)Cc1ccccc1F ZINC000049609731 523290466 /nfs/dbraw/zinc/29/04/66/523290466.db2.gz AEJHTDBHKWYMHG-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)Cc1ccccc1F ZINC000049609731 523290480 /nfs/dbraw/zinc/29/04/80/523290480.db2.gz AEJHTDBHKWYMHG-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608528 523347286 /nfs/dbraw/zinc/34/72/86/523347286.db2.gz RNPFYXKPJZNQCB-UHFFFAOYSA-N 2 1 282.362 2.768 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192058393 130360855 /nfs/dbraw/zinc/36/08/55/130360855.db2.gz OFPLHXXAMQACSY-GOSISDBHSA-N 2 1 279.387 2.708 10 30 CFEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192058393 130360859 /nfs/dbraw/zinc/36/08/59/130360859.db2.gz OFPLHXXAMQACSY-GOSISDBHSA-N 2 1 279.387 2.708 10 30 CFEEMP CCC(CC)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683718 175091902 /nfs/dbraw/zinc/09/19/02/175091902.db2.gz WEIIQMNGXGLGJP-UHFFFAOYSA-N 2 1 250.411 2.679 10 30 CFEEMP C[N@@H+](Cc1cccs1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683675 175092132 /nfs/dbraw/zinc/09/21/32/175092132.db2.gz CPOFNQNRRVGYDC-UHFFFAOYSA-N 2 1 276.430 2.752 10 30 CFEEMP CC(C)[C@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688922 175095238 /nfs/dbraw/zinc/09/52/38/175095238.db2.gz RGBVVUYKSBTPOO-LBPRGKRZSA-N 2 1 250.411 2.535 10 30 CFEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688843 175095540 /nfs/dbraw/zinc/09/55/40/175095540.db2.gz NAHLDWFKIQLVJR-BETUJISGSA-N 2 1 262.422 2.821 10 30 CFEEMP C=C(Cl)CN1CC[C@H](CNc2ccccn2)C1 ZINC000151104521 327210186 /nfs/dbraw/zinc/21/01/86/327210186.db2.gz CMRMIDDWNQNYNZ-GFCCVEGCSA-N 2 1 251.761 2.568 10 30 CFEEMP